| CAS Number | 70663-55-7 |
| Catalog Number | AG00FB7Q(AGN-PC-0OGX98) |
| Chemical Name | N-Me-p-nitro-phe-oh |
| IUPAC Name | (2S)-2-(methylamino)-3-(4-nitrophenyl)propanoic acid |
| InChI | InChI=1S/C10H12N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)/t9-/m0/s1 |
| InChI Key | AQKMYHBKZMBFDY-VIFPVBQESA-N |
| MDL Number | MFCD00038839 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | O=C(O)[C@@H](NC)CC1=CC=C([N+]([O-])=O)C=C1 |
| Synonyms | N-Me-p-nitro-Phe-OH,
70663-55-7,
N-ALPHA-METHYL-L-4-NITROPHENYLALANINE,
L-Phenylalanine, N-methyl-4-nitro-,
AMGLY00197,
SCHEMBL1225145,
N-Methyl-p-nitro-L-phenylalanin,
N-Methyl-4-nitro-L-phenylalanine,
L-Phenylalanine,N-methyl-4-nitro-,
ZINC2391149,
7518AH,
KM1362,
MFCD00038839,
FT-0641308,
C-50731,
C10H12N2O4,
CID7010626,
(2S)-2-methylamino-3-(4-nitrophenyl)propanoic Acid,
(S)-2-(Methylamino)-3-(4-nitrophenyl)propanoic acid,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number