| CAS Number | 1810074-83-9 |
| Catalog Number | AG0022LI(AGN-PC-0WAMA9) |
| Chemical Name | (S)-4-Amino-4-phenylbutan-1-ol hydrochloride |
| IUPAC Name | (4S)-4-amino-4-phenylbutan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H15NO.ClH/c11-10(7-4-8-12)9-5-2-1-3-6-9;/h1-3,5-6,10,12H,4,7-8,11H2;1H/t10-;/m0./s1 |
| InChI Key | GRDXYWYYIPOBAD-PPHPATTJSA-N |
| MDL Number | MFCD24431191 |
| Molecular Formula | C10H16ClNO |
| Molecular Weight | 201.6931 |
| SMILES | OCCC[C@H](N)C1=CC=CC=C1.[H]Cl |
| Synonyms | (S)-4-Amino-4-phenylbutan-1-ol hydrochloride,
1810074-83-9,
(4S)-4-Amino-4-phenylbutan-1-ol-HCl,
(4S)-4-AMINO-4-PHENYLBUTAN-1-OL HCl,
MFCD24431191,
AKOS025395782,
GS-7177,
KS-00000T10,
AX8297048,
(4S)-4-amino-4-phenylbutan-1-ol hydrochloride,
Benzenebutanol, delta-amino-, hydrochloride (1:1), (deltaS)-,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.694g/mol |
| Monoisotopic Mass | 201.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| 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