| CAS Number | 402497-81-8 |
| Catalog Number | AG00C65R(AGN-PC-0O9ZZB) |
| Chemical Name | Ac-phe(4-nh2)-oh |
| IUPAC Name | (2S)-2-acetamido-3-(4-aminophenyl)propanoic acid |
| InChI | InChI=1S/C11H14N2O3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1 |
| InChI Key | FEQBTHHWQQXZTN-JTQLQIEISA-N |
| MDL Number | MFCD01860648 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | CC(N[C@H](C(O)=O)CC1=CC=C(N)C=C1)=O |
| Synonyms | AC-PHE(4-NH2)-OH,
402497-81-8,
L-Phenylalanine, N-acetyl-4-amino-,
SCHEMBL8407536,
ZINC2510605,
6105AH,
MFCD03788154,
AKOS027251025,
N-Alpha-Acetyl-4-amino-l-phenylalanine,
K-8601,
C11H14N2O3,
(S)-2-Acetamido-3-(4-aminophenyl)propanoic acid,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number