| CAS Number | 722466-18-4 |
| Catalog Number | AG00IC8T |
| Chemical Name | 2-(2-Cyclohex-1-enyl-ethylamino)-benzoic acid |
| IUPAC Name | 2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid |
| InChI | InChI=1S/C15H19NO2/c17-15(18)13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h4-6,8-9,16H,1-3,7,10-11H2,(H,17,18) |
| InChI Key | GVRCRJICMDOYGU-UHFFFAOYSA-N |
| MDL Number | MFCD03956563 |
| Molecular Formula | C15H19NO2 |
| Molecular Weight | 245.3169 |
| SMILES | OC(C1=C(NCCC2CCCCC=2)C=CC=C1)=O |
| Synonyms | 722466-18-4,
2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}benzoic acid,
2-(2-Cyclohex-1-enyl-ethylamino)-benzoic acid,
AC1M61BW,
AC1Q73NC,
CTK7I9019,
HMS1763H15,
ZINC3273266,
MFCD03956563,
AKOS008966851,
MCULE-8099406538,
NE34458,
EN300-04724,
2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid,
AB00715631-01,
Z56870803,
CID2389315,
2-[2-(1-cyclohexenyl)ethylamino]benzoic Acid,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.322g/mol |
| Monoisotopic Mass | 245.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number