Propyl phenylcarbamate

HCID 21699CAS 5532-90-1
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Basic information

Standard SMILES
CCCOC(=O)Nc1ccccc1
InChIKey
QDZXCXBFZLLQFT-UHFFFAOYSA-N
Molecular formula
C10H13NO2
Average molar mass
179.22 g/mol
Monoisotopic mass
179.09462866

Names & identifiers

Preferred name
Propyl phenylcarbamate
IUPAC
propyl N-phenylcarbamate
English name
Phenylcarbamic acid propyl ester
Molecular formula
C10H13NO2
Molecular weight
179.22

Names & synonyms

Propyl phenylcarbamatePROPYL N-PHENYLCARBAMATECarbanilic acid, propyl esterPropyl phenylurethanePropyl carbanilateCarbamic acid, phenyl-, propyl esterCarbanilic acid, n-propyl esterDTXSID70203884NSC 28524RefChem:176516DTXCID00126375QDZXCXBFZLLQFT-UHFFFAOYSA-N
Show more names
propyl phenylcaratePropyl phenylcarbamate ,98%N-Phenylcarbamic acid propyl esterCarbamic acid, N-phenyl-, propyl ester
5532-90-1Phenylcarbamic acid propyl esterSCHEMBL514162SCHEMBL2095860SCHEMBL2533532SCHEMBL2534597SCHEMBL2535856SCHEMBL3229905

Database identifiers

CAS
5532-90-1
PubChem CID
21699
DTXSID
DTXSID70203884
Nikkaji
J108.694D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
LogP2.8

Physicochemical properties

Melting point
57.85 °C · 57.85°C
Boiling point
311.75 °C · 311.75°C (rough estimate)
Density
1.1248 · 1.1248 (rough estimate)
refractive index
1.515 · 1.5150 (estimate)
pka
13.86 · 13.86±0.70(Predicted)
InChI
InChI=1S/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)

Chemistry & industry

Upstream & downstream products

Suppliers9 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]

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