Ethyl benzylcarbamate

HCID 75801
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Basic information

CAS
2621-78-5
Standard SMILES
CCOC(=O)NCc1ccccc1
InChIKey
XSXLCQLOFRENHC-UHFFFAOYSA-N
Molecular formula
C10H13NO2
Average molar mass
179.22 g/mol
Monoisotopic mass
179.09462866

Names & identifiers

Preferred name
Ethyl benzylcarbamate
IUPAC
ethyl N-benzylcarbamate
English name
Ethyl-N-benzylcarbamate
Molecular formula
C10H13NO2
Molecular weight
179.22

Names & synonyms

Ethyl benzylcarbamateEthyl N-benzylcarbamate2621-78-5Carbamic acid, (phenylmethyl)-, ethyl esterHW5P5M9LUMNSC-3167benzylurethaneBenzylurethanNVJEINECS 220-064-5AI3-18051N-Benzyl-O-ethylurethane
Show more names
Compound Fr12385Ethyl-N-benzylcarbamateBenzylcarbamic acid ethyl esterethyl N-(phenylmethyl)carbamateN-ethyl-N-(phenylmethyl)carbamateN-(benzyl)carbamic acid ethyl ester(phenylmethyl)-carbamicaciethylester(Phenylmethyl)carbamic acid ethyl esterN-Methyl-N-phenyl-carbaminsure-ethylester
Maybridge1_003377UNII-HW5P5M9LUMMLS001074427SCHEMBL423343SCHEMBL423344orb3169958SCHEMBL1415937SCHEMBL1415939

Database identifiers

CAS
2621-78-5
PubChem CID
75801
DTXSID
DTXSID30180849
ChEMBL
CHEMBL1491504
UNII
HW5P5M9LUM
EC Number
220-064-5
Nikkaji
J192.126F

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Melting point
49 °C · 49°C
Boiling point
311.75 °C · 311.75°C (rough estimate)
Density
1.1248 · 1.1248 (rough estimate)
refractive index
1.571 · 1.5710 (estimate)
pka
12.89 · 12.89±0.46(Predicted)
FDA UNII
5 P5M9LUM · HW5P5M9LUM

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Chemistry & industry

Suppliers7 total

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
格莱斯兰德（天津）医药科技有限公司022-83705301 13752403750

Related reactions

3 records
New reaction record

Compound notes

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