| CAS Number | 1269152-16-0 |
| Catalog Number | AG01AGS0 |
| Chemical Name | 1-amino-4-phenylcyclohexane-1-carboxylic acid hydrochloride |
| IUPAC Name | 1-amino-4-phenylcyclohexane-1-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10;/h1-5,11H,6-9,14H2,(H,15,16);1H |
| InChI Key | UWVFXIZTTMBTEU-UHFFFAOYSA-N |
| MDL Number | MFCD01700407 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.NC1(C(O)=O)CCC(C2=CC=CC=C2)CC1 |
| Synonyms | 1-amino-4-phenylcyclohexane-1-carboxylic acid hydrochloride,
1269152-16-0,
AC1Q3CVW,
AKOS008108042,
NE20477,
EN300-72666,
Z234898119,
117259-23-1,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number