| CAS Number | 342425-45-0 |
| Catalog Number | AG01A8SW(AGN-PC-0WOQ7G) |
| Chemical Name | [1-(4-Chlorophenyl)cyclohexyl]methanamine |
| IUPAC Name | [1-(4-chlorophenyl)cyclohexyl]methanamine |
| InChI | InChI=1S/C13H18ClN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2 |
| InChI Key | NVXHEFNSQQTTPF-UHFFFAOYSA-N |
| MDL Number | MFCD06213130 |
| Molecular Formula | C13H18ClN |
| Molecular Weight | 223.7417 |
| SMILES | NCC1(C2=CC=C(Cl)C=C2)CCCCC1 |
| Synonyms | [1-(4-chlorophenyl)cyclohexyl]methanamine,
342425-45-0,
(1-(4-chlorophenyl)cyclohexyl)methanamine,
AC1Q53Q4,
SCHEMBL3663025,
NVXHEFNSQQTTPF-UHFFFAOYSA-N,
ZINC11883723,
AKOS000345342,
MCULE-9267176860,
NE18933,
SC-29783,
EN300-62475,
Z1262252876,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.744g/mol |
| Monoisotopic Mass | 223.113g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number