n,n'-Butane-1,4-diylbis[p,p-bis(aziridin-1-yl)-n-methyl(phosphinic amide)]

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Basic information

CAS: 31719-37-6
Standard SMILES: CN(CCCCN(C)P(=O)(N1CC1)N1CC1)P(=O)(N1CC1)N1CC1
InChIKey: FEJWNSGKHNGHOR-UHFFFAOYSA-N
Molecular formula: C14H30N6O2P2
Average molar mass: 376.38 g/mol
Monoisotopic mass: 376.19054822

Names & identifiers

Preferred name: n,n'-Butane-1,4-diylbis[p,p-bis(aziridin-1-yl)-n-methyl(phosphinic amide)]
IUPAC: N,N'-bis[bis(aziridin-1-yl)phosphoryl]-N,N'-dimethylbutane-1,4-diamine

Names & synonyms

31719-37-6NSC108888n,n'-butane-1,4-diylbis[p,p-bis(aziridin-1-yl)-n-methyl(phosphinic amide)]DTXSID60953664Propofol b-D-glucuronide sodium saltMP46357NSC-108888N,N'-Butane-1,4-diylbis{P,P-bis[(aziridin-1-yl)]-N-methyl(phosphinic amide)}

Database identifiers

CAS: 31719-37-6
PubChem CID: 268589
DTXSID: DTXSID60953664

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 52.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 24
Formal charge: 0
Complexity: 492

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Compound notes

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