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1013-75-8,MFCD00035796
Catalog No.:AA000442
1013-75-8 | Carbamic acid, N-ethyl-N-phenyl-, ethyl ester
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Technical Information
Catalog Number:
AA000442
Chemical Name:
Carbamic acid, N-ethyl-N-phenyl-, ethyl ester
CAS Number:
1013-75-8
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD00035796
IUPAC Name:
ethyl N-ethyl-N-phenylcarbamate
InChI:
InChI=1S/C11H15NO2/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChI Key:
XEFYPTRGVWLMHB-UHFFFAOYSA-N
SMILES:
CCN(c1ccccc1)C(=O)OCC
EC Number:
213-796-1
UNII:
JCE035VYFP
NSC Number:
6776
Properties
Computed Properties
 
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
N-Ethyl-N-phenylurethane 
1013-75-8 
Athylphenylurethan 
HSDB 2753 
NSC 6776 
EINECS 213-796-1 
Carbamic acid, ehtylphenyl-, ethyl ester 
AI3-06187 
AC1L22Q2 
SCHEMBL1400828 
CTK3J9719 
DTXSID40143829 
Ethyl N-ethyl-N-phenylcarbamate 
ethyl N-ethyl-N-phenyl-carbamate 
NSC6776 
XEFYPTRGVWLMHB-UHFFFAOYSA-N 
Ethylphenylcarbamic acid ethyl ester 
NSC-6776 
ZINC1866982 
ZX-AT029337 
MFCD00035796 
AKOS008969657 
ethyl-phenyl-carbamic acid ethyl ester 
Ethyl phenylurethane 
AN-19652 
CJ-30651 
N-Ethyl-N-phenylcarbamic acid, ethyl ester 
FT-0633246 
Carbanilic acid, N-ethyl-, ethyl ester (8CI) 
Carbamic acid, ethylphenyl-, ethyl ester (9CI) 
C-51906 
Carbamic acid, ethyl ester 
Carbanilic acid, ethyl ester 
C11H15NO2 
UNII-JCE035VYFP 
CID13901 
C11-H15-N-O2 
Ethyl ethyl(phenyl)carbamate 
CARBANILIC ACID, N-ETHYL-, ETHYL ESTER 
JCE035VYFP 
Carbamic acid,ethylphenyl-, ethyl ester (9CI) 
Carbamic acid, ethylphenyl-, ethyl ester 
Literature

Title: Quantum chemistry studies of far-infrared spectra of aromatic urethanes.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081101

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