Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium

HCID 5230725

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Basic information

CAS: 6918-05-4
Standard SMILES: C[NH2+]NCc1ccc(C(=O)NC(C)C)cc1
InChIKey: CPTBDICYNRMXFX-UHFFFAOYSA-O
Molecular formula: C12H20N3O+
Average molar mass: 222.31 g/mol
Monoisotopic mass: 222.16063727

Names & identifiers

Preferred name: Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium
IUPAC: methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium

Names & synonyms

6918-05-4procarbazine(1+)Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azaniumDTXSID30411766Q271396031-Methyl-2-({4-[(propan-2-yl)carbamoyl]phenyl}methyl)hydrazin-1-ium

Database identifiers

CAS: 6918-05-4
PubChem CID: 5230725
DTXSID: DTXSID30411766

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 57.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 1
Complexity: 210

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