Phenylmethyl N-propylcarbamate

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Basic information

CAS: 65095-17-2
Standard SMILES: CCCNC(=O)OCc1ccccc1
InChIKey: CSOLJDWYEPDGKF-UHFFFAOYSA-N
Molecular formula: C11H15NO2
Average molar mass: 193.24 g/mol
Monoisotopic mass: 193.11027872

Names & identifiers

Preferred name: Phenylmethyl N-propylcarbamate
IUPAC: benzyl N-propylcarbamate

Names & synonyms

65095-17-2Phenylmethyl N-propylcarbamateRefChem:369928benzyl propylcarbamatebenzyl N-propylcarbamateSCHEMBL733157SCHEMBL1415895SCHEMBL1415897SCHEMBL7657748CSOLJDWYEPDGKF-UHFFFAOYSA-NDTXSID101306379DA-03923

Show more names

AR-360/11523422

Database identifiers

CAS: 65095-17-2
PubChem CID: 7315499
DTXSID: DTXSID101306379
Nikkaji: J306.014D

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 165

Related reactions

4 records

New reaction record

HRID 148542As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 159647As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1987152As productuspto-grants-2009_06

HRID 1987153As reactantuspto-grants-2009_06

Compound notes

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