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Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-(p-methylphenyl)-, (Z)-, monohydrochloride

HCID 59936
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Basic information

CAS
105310-39-2
Standard SMILES
CCN(CC)C(=O)[C@]1(c2ccc(C)cc2)C[C@@H]1C[NH3+].[Cl-]
InChIKey
BJYOUISVJOJDDP-XMZRARIVSA-N
Molecular formula
C16H25ClN2O
Average molar mass
296.83 g/mol
Monoisotopic mass
296.1655411

Names & identifiers

Preferred name
Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-(p-methylphenyl)-, (Z)-, monohydrochloride
IUPAC
[(1S,2R)-2-(diethylcarbamoyl)-2-(4-methylphenyl)cyclopropyl]methylazanium chloride

Names & synonyms

105310-39-2Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-(p-methylphenyl)-, (Z)-, monohydrochlorideRefChem:1082753(Z)-2-(Aminomethyl)-N,N-diethyl-1-(p-methylphenyl)cyclopropanecarboxamide hydrochloride

Database identifiers

CAS
105310-39-2
PubChem CID
59936

Properties

Computed structural properties

Topological polar surface area
48 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
319

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