| CAS Number | 850791-48-9 |
| Catalog Number | AG00G91G(AGN-PC-0LRN1Y) |
| Chemical Name | methyl N-[(4-aminophenyl)methyl]carbamate |
| IUPAC Name | methyl N-[(4-aminophenyl)methyl]carbamate |
| InChI | InChI=1S/C9H12N2O2/c1-13-9(12)11-6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3,(H,11,12) |
| InChI Key | MFQVSXFZFMRDFR-UHFFFAOYSA-N |
| MDL Number | MFCD09031085 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | COC(NCC1=CC=C(N)C=C1)=O |
| Synonyms | Methyl N-[(4-aminophenyl)methyl]carbamate,
850791-48-9,
methyl 4-aminobenzylcarbamate,
AC1NX611,
SCHEMBL3006709,
ZINC21990912,
AKOS010096754,
NE14068,
(4-Aminobenzyl)carbamic acid methyl ester,
FT-0748048,
EN300-80094,
Carbamic acid, N-[(4-aminophenyl)methyl]-, methyl ester,
CID5744814,
|
| Complexity | 165 |
| 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 | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number