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19962-04-0 | Carbamic acid, N,N-dimethyl-, 3-aminophenyl ester
CAS No: 19962-04-0 Catalog No: AG002C9D MDL No:MFCD00052699
Product Description
Catalog Number:
AG002C9D
Chemical Name:
Carbamic acid, N,N-dimethyl-, 3-aminophenyl ester
CAS Number:
19962-04-0
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00052699
IUPAC Name:
(3-aminophenyl) N,N-dimethylcarbamate
InChI:
InChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,10H2,1-2H3
InChI Key:
LKEQZFMJKLCAEA-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)OC(=O)N(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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