| CAS Number | 52735-71-4 |
| Catalog Number | AG00DGVU(AGN-PC-0OBR84) |
| Chemical Name | H-Phe-chloromethylketone HCl |
| IUPAC Name | (3S)-3-amino-1-chloro-4-phenylbutan-2-one;hydrochloride |
| InChI | InChI=1S/C10H12ClNO.ClH/c11-7-10(13)9(12)6-8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2;1H/t9-;/m0./s1 |
| InChI Key | DLNJXAGVYFIVJM-FVGYRXGTSA-N |
| MDL Number | MFCD00133443 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | N[C@H](C(CCl)=O)CC1=CC=CC=C1 |
| Synonyms | H-PHE-CHLOROMETHYLKETONE HCL,
52735-71-4,
34351-19-4,
H-Phe-chloromethylketone . HCl,
DLNJXAGVYFIVJM-FVGYRXGTSA-N,
MFCD00133443,
H-Phe-chloromethylketone hydrochloride,
AKOS027327887,
AS-46923,
V6404,
K-9607,
(S)-4-Chloro-3-oxo-1-phenylbutan-2-aminiumchloride,
(S)-3-amino-1-chloro-4-phenyl-2-butanone hydrochloride,
(3S) -3-amino-1-chloro-4-phenyl-2-butanone hydrochloride,
(3S)-3-amino-1-chloro-4-phenyl-2-butanone hydrochloride,
C10H12ClNO.HCl,
(S)-3-Amino-1-chloro-4-phenylbutan-2-one hydrochloride,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.12g/mol |
| Monoisotopic Mass | 233.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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