| CAS Number | 21176-60-3 |
| Catalog Number | AG003RA6(AGN-PC-0QXRJT) |
| Chemical Name | 2-Amino-4-phenylbutanoic acid hydrochloride |
| IUPAC Name | 2-amino-4-phenylbutanoic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H |
| InChI Key | CHBMONIBOQCTCF-UHFFFAOYSA-N |
| MDL Number | MFCD03427064 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.NC(C(O)=O)CCC1=CC=CC=C1 |
| Synonyms | 21176-60-3,
SCHEMBL2305748,
AKOS015893955,
VC31051,
2-amino-4-phenylbutanoic acid hydrochloride,
2-azanyl-4-phenyl-butanoic acid hydrochloride,
(2S)-2-amino-4-phenylbutanoic acid;hydrochloride,
A801221,
I01-3011,
I04-8799,
L-Homophenylalanine hydrochloride,
D-(R)-Homophenylalanine HCl,
(S)-2-Amino-4-phenylbutanoic acid hydrochloride,
105382-09-0,
2-Amino-4-phenylbutanoic acid hydrochloride (1:1),
105382-08-9,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number