2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate

HCID 212903

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Basic information

CAS: 25384-38-7
Standard SMILES: CCCC(C)(CO)COC(=O)NCc1ccccc1
InChIKey: FQSWAPFQPLQSHF-UHFFFAOYSA-N
Molecular formula: C15H23NO3
Average molar mass: 265.35 g/mol
Monoisotopic mass: 265.1677936

Names & identifiers

Preferred name: 2-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidate
IUPAC: [2-(hydroxymethyl)-2-methylpentyl] N-benzylcarbamate

Names & synonyms

25384-38-7DTXSID309482242-(Hydroxymethyl)-2-methylpentyl hydrogen benzylcarbonimidateRefChem:1061858DTXCID501376461Benzylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl esterBRN 3056024Carbamic acid, benzyl-, 2-(hydroxymethyl)-2-methylpentyl ester

Database identifiers

CAS: 25384-38-7
PubChem CID: 212903
DTXSID: DTXSID30948224

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 264

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