| CAS Number | 1156283-68-9 |
| Catalog Number | AG01AJ48(AGN-PC-0WO2LV) |
| Chemical Name | [2-(4-Chlorophenyl)ethyl](cyclopropylmethyl)amine |
| IUPAC Name | 2-(4-chlorophenyl)-N-(cyclopropylmethyl)ethanamine |
| InChI | InChI=1S/C12H16ClN/c13-12-5-3-10(4-6-12)7-8-14-9-11-1-2-11/h3-6,11,14H,1-2,7-9H2 |
| InChI Key | PUYOKMJGJLEVMW-UHFFFAOYSA-N |
| MDL Number | MFCD12109151 |
| Molecular Formula | C12H16ClN |
| Molecular Weight | 209.7151 |
| SMILES | ClC1=CC=C(CCNCC2CC2)C=C1 |
| Synonyms | [2-(4-chlorophenyl)ethyl](cyclopropylmethyl)amine,
1156283-68-9,
SCHEMBL2406756,
PUYOKMJGJLEVMW-UHFFFAOYSA-N,
ZINC36154563,
AKOS009845421,
MCULE-9453613318,
NE33832,
EN300-79733,
[2-(4-Chloro-phenyl)-ethyl]cyclopropylmethyl-amine,
Z1269702295,
|
| Complexity | 160 |
| 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 | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number