| CAS Number | 1379971-06-8 |
| Catalog Number | AG0017S7(AGN-PC-0WAABC) |
| Chemical Name | Benzenepropanol, β-amino-4-chloro-, hydrochloride (1:1) |
| IUPAC Name | 2-amino-3-(4-chlorophenyl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c10-8-3-1-7(2-4-8)5-9(11)6-12;/h1-4,9,12H,5-6,11H2;1H |
| InChI Key | VLDWUIKCXWULET-UHFFFAOYSA-N |
| MDL Number | MFCD08454680 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | Cl.NC(CC1=CC=C(Cl)C=C1)CO |
| Synonyms | 4-Chlorophenylalaninol Hydrochloride,
1379971-06-8,
2-amino-3-(4-chlorophenyl)propan-1-ol hydrochloride,
(S)-2-Amino-3-(4-chlorophenyl)propan-1-ol hydrochloride,
C9H12ClNO.HCl,
4-ChlorophenylalaninolHydrochloride,
6147AJ,
AKOS025243837,
TRA0003922,
KS-0000097A,
SY022058,
Z-4668,
MFCD08454680 (97+%),
Benzenepropanol, beta-amino-4-chloro-, hydrochloride (1:1),
1072-84-0,
1956434-75-5,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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