N-(Chloromethyl-ethylamino-phosphoryl)adamantan-1-amine

HCID 296604

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Basic information

CAS: 56252-42-7
Standard SMILES: CCNP(=O)(CCl)NC12CC3CC(CC(C3)C1)C2
InChIKey: LWPNLMLRAICZJF-UHFFFAOYSA-N
Molecular formula: C13H24ClN2OP
Average molar mass: 290.77 g/mol
Monoisotopic mass: 290.1314781

Names & identifiers

Preferred name: N-(Chloromethyl-ethylamino-phosphoryl)adamantan-1-amine
IUPAC: N-[chloromethyl(ethylamino)phosphoryl]adamantan-1-amine

Names & synonyms

56252-42-7N-(CHLOROMETHYL-ETHYLAMINO-PHOSPHORYL)ADAMANTAN-1-AMINENSC166862DTXSID30304700NSC-166862N-(Adamantan-1-yl)-P-(chloromethyl)-N'-ethylphosphonic diamide

Database identifiers

CAS: 56252-42-7
PubChem CID: 296604
DTXSID: DTXSID30304700

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 333

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