| CAS Number | 144836-90-8 |
| Catalog Number | AG00HX89(AGN-PC-0PW838) |
| Chemical Name | Benzenepropanamide, a-amino-N-methyl-, (aR)- |
| IUPAC Name | (2R)-2-amino-N-methyl-3-phenylpropanamide |
| InChI | InChI=1S/C10H14N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/t9-/m1/s1 |
| InChI Key | BVRKOQJETMBIDK-SECBINFHSA-N |
| MDL Number | MFCD12198421 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.2310 |
| SMILES | O=C(NC)[C@H](N)CC1=CC=CC=C1 |
| Synonyms | 144836-90-8,
(R)-2-Amino-N-methyl-3-phenylpropanamide,
D-Phenylalanine methylamide,
N-Methyl-D-phenylalaninamide,
D-Phenylalanine-N-methyl amide,
SCHEMBL7648961,
KS-00001FYY,
DTXSID00546796,
BVRKOQJETMBIDK-SECBINFHSA-N,
MFCD12198421,
ZINC52961953,
(R)-N-Methyl-alpha-aminobenzenepropionamide,
AJ-112147,
(alphaR)-alpha-Amino-N-methylbenzenepropanamide,
Benzenepropanamide, a-amino-N-methyl-, (aR)-,
D-Phenylalaninemethylamide,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.235g/mol |
| Monoisotopic Mass | 178.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number