1,9-Dimethyl-2,3,4,6,7,8-hexahydro-[1,3,2]diazaphosphinino[1,2-a][1,3,2]diazaphosphinine

HCID 333383

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Basic information

CAS: 75403-51-9
Standard SMILES: CN1CCCN2CCCN(C)P12
InChIKey: VRGCXIXEOJIUJC-UHFFFAOYSA-N
Molecular formula: C8H18N3P
Average molar mass: 187.22 g/mol
Monoisotopic mass: 187.12383458

Names & identifiers

Preferred name: 1,9-Dimethyl-2,3,4,6,7,8-hexahydro-[1,3,2]diazaphosphinino[1,2-a][1,3,2]diazaphosphinine
IUPAC: 1,9-dimethyl-2,3,4,6,7,8-hexahydro-[1,3,2]diazaphosphinino[1,2-a][1,3,2]diazaphosphinine

Names & synonyms

75403-51-9NSC3340671,9-dimethyl-2,3,4,6,7,8-hexahydro-[1,3,2]diazaphosphinino[1,2-a][1,3,2]diazaphosphinineDTXSID60318698NSC-3340671,9-Dimethyloctahydro[1,3,2]diazaphosphinino[1,2-a][1,3,2]diazaphosphinine

Database identifiers

CAS: 75403-51-9
PubChem CID: 333383
DTXSID: DTXSID60318698

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 9.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 148

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