Adamantane, 1-(chloronitroamino)-

HCID 41865

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Basic information

CAS: 56409-10-0
Standard SMILES: O=[N+]([O-])N(Cl)C12CC3CC(CC(C3)C1)C2
InChIKey: ZPJPHPCKBZYKGV-UHFFFAOYSA-N
Molecular formula: C10H15ClN2O2
Average molar mass: 230.69 g/mol
Monoisotopic mass: 230.0822054

Names & identifiers

Preferred name: Adamantane, 1-(chloronitroamino)-
IUPAC: N-(1-adamantyl)-N-chloronitramide

Names & synonyms

1-(Chloronitroamino)adamantaneADAMANTANE, 1-(CHLORONITROAMINO)-BRN 297825256409-10-0DTXSID90204979RefChem:317235DTXCID70127470N-(adamantan-1-yl)-N-chloronitramideN-chloro-N-nitroaminoadamantane

Database identifiers

CAS: 56409-10-0
PubChem CID: 41865
DTXSID: DTXSID90204979
Nikkaji: J73.396B

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 261

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