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190851-19-5 | Carbamic acid, N-(4-amino-2-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS No: 190851-19-5 Catalog No: AG002EV0 MDL No:MFCD09808305
Product Description
Catalog Number:
AG002EV0
Chemical Name:
Carbamic acid, N-(4-amino-2-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS Number:
190851-19-5
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
MDL Number:
MFCD09808305
IUPAC Name:
tert-butyl N-(4-amino-2-methoxyphenyl)carbamate
InChI:
InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,13H2,1-4H3,(H,14,15)
InChI Key:
YUSDXMQVJPPUTH-UHFFFAOYSA-N
SMILES:
COc1cc(N)ccc1NC(=O)OC(C)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| An allosteric modulator to control endogenous G protein-coupled receptors with light. | Nature chemical biology 20141001 |
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