1-Propanol, 2-(butylamino)-2-methyl-, benzoate (ester), hydrochloride

HCID 3064366

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Basic information

CAS: 102071-76-1
Standard SMILES: CCCCNC(C)(C)COC(=O)c1ccccc1.Cl
InChIKey: LBYFAQFDVWWOLE-UHFFFAOYSA-N
Molecular formula: C15H24ClNO2
Average molar mass: 285.81 g/mol
Monoisotopic mass: 285.1495567

Names & identifiers

Preferred name: 1-Propanol, 2-(butylamino)-2-methyl-, benzoate (ester), hydrochloride
IUPAC: [2-(butylamino)-2-methylpropyl] benzoate;hydrochloride

Names & synonyms

2-(Butylamino)-2-methyl-1-propanol benzoate hydrochloride1-Propanol, 2-(butylamino)-2-methyl-, benzoate (ester), hydrochloride102071-76-1DTXSID80144618RefChem:234634DTXCID80671092-(Butylamino)-2-methylpropyl benzoate--hydrogen chloride (1/1)

Database identifiers

CAS: 102071-76-1
PubChem CID: 3064366
DTXSID: DTXSID80144618

Properties

Computed structural properties

Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 245

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