| CAS Number | 1245623-77-1 |
| Catalog Number | AG00HHOU(AGN-PC-0WNGJC) |
| Chemical Name | (R)-3-(1-Amino-2-hydroxyethyl)benzonitrile hydrochloride |
| IUPAC Name | 3-[(1R)-1-amino-2-hydroxyethyl]benzonitrile;hydrochloride |
| InChI | InChI=1S/C9H10N2O.ClH/c10-5-7-2-1-3-8(4-7)9(11)6-12;/h1-4,9,12H,6,11H2;1H/t9-;/m0./s1 |
| InChI Key | SHCGXNAWGYFVRX-FVGYRXGTSA-N |
| MDL Number | MFCD18375610 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | N#CC1=CC=CC([C@@H](N)CO)=C1.[H]Cl |
| Synonyms | (R)-3-(1-Amino-2-hydroxyethyl)benzonitrile hydrochloride,
1245623-77-1,
SCHEMBL421476,
MFCD18375610,
AKOS030632951,
KS-00000U38,
DS-19788,
AX8326661,
(R)-3-(1-Amino-2-hydroxyethyl)benzonitrile HCl,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302
|
|
Packing Group
|
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number