| CAS Number | 1048640-69-2 |
| Catalog Number | AG00J3SN |
| Chemical Name | [2-(1-Cyclohexen-1-yl)ethyl](4-methylbenzyl)amine hydrochloride |
| IUPAC Name | 2-(cyclohexen-1-yl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C16H23N.ClH/c1-14-7-9-16(10-8-14)13-17-12-11-15-5-3-2-4-6-15;/h5,7-10,17H,2-4,6,11-13H2,1H3;1H |
| InChI Key | FNIHNGWEMIZYAQ-UHFFFAOYSA-N |
| MDL Number | MFCD03930954 |
| Molecular Formula | C16H24ClN |
| Molecular Weight | 265.8215 |
| SMILES | C1(CCCCC=1)CCNCC1=CC=C(C)C=C1.Cl |
| Synonyms | [2-(1-Cyclohexen-1-yl)ethyl](4-methylbenzyl)amine hydrochloride,
1048640-69-2,
MLS000537103,
N-[2-(1-cyclohexen-1-yl)ethyl]-N-(4-methylbenzyl)amine,
ARONIS005005,
CHEMBL1605784,
KS-00003XN7,
REGID_for_CID_11948834,
ZX-CM016824,
MFCD03930954,
AKOS003746671,
SMR000160529,
CID11948834,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.825g/mol |
| Monoisotopic Mass | 265.16g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number