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  • N-methyl-N-phenylurethane
Name:N-methyl-N-phenylurethane
CAS No:2621-79-6

PRODUCT DESCRIPTION

【Name】
N-methyl-N-phenylurethane
【Iupac name】
ethyl N-methyl-N-phenylcarbamate
【CAS Registry number】
2621-79-6
【Synonyms】
Ethyl N-methyl-N-phenylcarbamate
【EINECS(EC#)】
220-065-0
【Molecular Formula】
C10H13NO2 (Products with the same molecular formula)
【Molecular Weight】
179.21
【Inchi】
InChI=1/C10H13NO2/c1-3-13-10(12)11(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
【InChIKey】
QHGZFCAIXRVHID-UHFFFAOYSA-N
【Canonical SMILES】
CCOC(=O)N(C)C1=CC=CC=C1
【MOL File】
2621-79-6.mol

Chemical and Physical Properties

【Density】
1.07
【Boiling Point】
243℃
【Vapour】
0.032mmHg at 25°C
【Refractive Index】
n20/D 1.515(lit.)
【Flash Point】
>230 ºF
【Computed Properties】
Molecular Weight:179.21572 [g/mol]
Molecular Formula:C10H13NO2
XLogP3-AA:2.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:3
Exact Mass:179.094629
MonoIsotopic Mass:179.094629
Topological Polar Surface Area:29.5
Heavy Atom Count:13
Formal Charge:0
Complexity:164
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:24

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R22
【Safety Statements 】
S36/37
【HazardClass】
6.1
【PackingGroup 】
III
【Transport】
2810

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