| CAS Number | 827329-06-6 |
| Catalog Number | AG00ID9C |
| Chemical Name | N-[(2-chlorophenyl)methyl]cyclopentanamine |
| IUPAC Name | N-[(2-chlorophenyl)methyl]cyclopentanamine |
| InChI | InChI=1S/C12H16ClN/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11,14H,2-3,6-7,9H2 |
| InChI Key | YCUQBQVCEWRARR-UHFFFAOYSA-N |
| MDL Number | MFCD07407526 |
| Molecular Formula | C12H16ClN |
| Molecular Weight | 209.7151 |
| SMILES | ClC1=C(CNC2CCCC2)C=CC=C1 |
| Synonyms | N-[(2-chlorophenyl)methyl]cyclopentanamine,
827329-06-6,
N-(2-chlorobenzyl)cyclopentanamine,
AC1MTQ85,
AC1Q3HR9,
ZINC4681254,
STK136566,
AKOS000226571,
MCULE-3090503613,
NE34130,
EN300-69637,
CID3628779,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.717g/mol |
| Monoisotopic Mass | 209.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number