| CAS Number | 157563-54-7 |
| Catalog Number | AG00AWFZ(AGN-PC-0Q7BUI) |
| Chemical Name | methyl N-(3-amino-2-methylphenyl)carbamate |
| IUPAC Name | methyl N-(3-amino-2-methylphenyl)carbamate |
| InChI | InChI=1S/C9H12N2O2/c1-6-7(10)4-3-5-8(6)11-9(12)13-2/h3-5H,10H2,1-2H3,(H,11,12) |
| InChI Key | VYRAHTPNSYEFTK-UHFFFAOYSA-N |
| MDL Number | MFCD11128936 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | COC(NC1=C(C)C(N)=CC=C1)=O |
| Synonyms | 157563-54-7,
methyl N-(3-amino-2-methylphenyl)carbamate,
Methyl (3-amino-2-methylphenyl)carbamate,
ZINC19815600,
AKOS000204420,
3-Amino-2-methylphenylcarbamic acid methyl ester,
Z1973465506,
Carbamic acid, (3-amino-2-methylphenyl)-, methyl ester (9CI),
Carbamic acid, (3-amino-2-methylphenyl)-, methyl ester (9CI),
|
| Complexity | 185 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number