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1013-75-8 | Carbamic acid, N-ethyl-N-phenyl-, ethyl ester
CAS No: 1013-75-8 Catalog No: AG00046U MDL No:
Product Description
Catalog Number:
AG00046U
Chemical Name:
Carbamic acid, N-ethyl-N-phenyl-, ethyl ester
CAS Number:
1013-75-8
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
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
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
Literature
| Title | Journal |
|---|---|
| Quantum chemistry studies of far-infrared spectra of aromatic urethanes. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081101 |
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