N-[bis(aziridin-1-yl)phosphoryl]methanamine (CED0309866)

Record Information

Version

1.0

Creation Date

2026-09-01 07:51:44 UTC

Update Date

2026-09-01 07:51:44 UTC

SynCED ID

CED0309866

Secondary Accession Numbers

CHEM355556

Identification

Common Name

N-[bis(aziridin-1-yl)phosphoryl]methanamine

Class

Small Molecule

Description

N-[bis(aziridin-1-yl)phosphoryl]methanamine is a chemical compound with the formula C5H12N3OP. It has an average molecular weight of 161.14 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₁₂N₃OP

Average Molecular Mass

Not Available

Monoisotopic Mass

161.072 g/mol

CAS Registry Number

2275-61-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CNP(=O)(N1CC1)N2CC2

InChI Identifier

InChI=1S/C5H12N3OP/c1-6-10(9,7-2-3-7)8-4-5-8/h2-5H2,1H3,(H,6,9)

InChI Key

DTGBDCRQUVLGJV-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
39.0 Log mg/kg [20:69]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	Not Available
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.172 Low confidence Statistical Significance 0.9326 Supporting Reference Compounds 400 E-value 7259.98
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.172 Low confidence Statistical Significance 0.8883 Supporting Reference Compounds 332 E-value 6915.27
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.171 Low confidence Statistical Significance 0.9709 Supporting Reference Compounds 385 E-value 7558.61
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.172 Low confidence Statistical Significance 0.9084 Supporting Reference Compounds 372 E-value 7071.9
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.172 Low confidence Statistical Significance 0.9151 Supporting Reference Compounds 407 E-value 7124.22
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.171 Low confidence Statistical Significance 0.8123 Supporting Reference Compounds 109 E-value 6323.61
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.162 Low confidence Statistical Significance 0.9515 Supporting Reference Compounds 472 E-value 7407.51
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.162 Low confidence Statistical Significance 0.9624 Supporting Reference Compounds 266 E-value 7492.52
Click to view 3D structure	Acetylcholinesterase	P36196	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.1779 Supporting Reference Compounds 1 E-value 1384.94
Click to view 3D structure	Lipoprotein lipase	Q06000	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.2859 Supporting Reference Compounds 1 E-value 2225.63
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.162 Low confidence Statistical Significance 0.9846 Supporting Reference Compounds 373 E-value 7665.19
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.162 Low confidence Statistical Significance 0.9795 Supporting Reference Compounds 310 E-value 7625.64
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P46098	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.163 Low confidence Statistical Significance 0.9692 Supporting Reference Compounds 228 E-value 7545.38
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.162 Low confidence Statistical Significance 0.9778 Supporting Reference Compounds 297 E-value 7612.49
Click to view 3D structure	Lycopene beta-cyclase	P21687	Pantoea ananas	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.15 Low confidence Statistical Significance 0.1575 Supporting Reference Compounds 1 E-value 1225.89
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.163 Low confidence Statistical Significance 0.9963 Supporting Reference Compounds 1130 E-value 7756.35
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.163 Low confidence Statistical Significance 0.8926 Supporting Reference Compounds 77 E-value 6949.21
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	Q05941	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.163 Low confidence Statistical Significance 0.7633 Supporting Reference Compounds 55 E-value 5942.31
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.167 Low confidence Statistical Significance 0.914 Supporting Reference Compounds 176 E-value 7115.26
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.171 Low confidence Statistical Significance 0.9943 Supporting Reference Compounds 553 E-value 7740.39
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.15 Low confidence Statistical Significance 0.995 Supporting Reference Compounds 686 E-value 7746.0
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.162 Low confidence Statistical Significance 0.8696 Supporting Reference Compounds 98 E-value 6769.92
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.148 Low confidence Statistical Significance 0.995 Supporting Reference Compounds 823 E-value 7745.76
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.148 Low confidence Statistical Significance 0.9959 Supporting Reference Compounds 955 E-value 7752.93
Click to view 3D structure	Protein-tyrosine kinase 2-beta	Q14289	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.191 Low confidence Statistical Significance 0.9829 Supporting Reference Compounds 414 E-value 7651.57