| CAS Number | 952959-60-3 |
| Catalog Number | AG00IIYM(AGN-PC-0WOL1X) |
| Chemical Name | 4-Chloro-N-(2-(piperazin-1-yl)ethyl)aniline |
| IUPAC Name | 4-chloro-N-(2-piperazin-1-ylethyl)aniline |
| InChI | InChI=1S/C12H18ClN3/c13-11-1-3-12(4-2-11)15-7-10-16-8-5-14-6-9-16/h1-4,14-15H,5-10H2 |
| InChI Key | JXPWMXZXMFWBGT-UHFFFAOYSA-N |
| MDL Number | MFCD09832490 |
| Molecular Formula | C12H18ClN3 |
| Molecular Weight | 239.7444 |
| SMILES | Clc1ccc(cc1)NCCN1CCNCC1 |
| Synonyms | 4-chloro-N-(2-piperazin-1-ylethyl)aniline,
952959-60-3,
4-Chloro-N-(2-(piperazin-1-yl)ethyl)aniline,
4-chloro-N-[2-(piperazin-1-yl)ethyl]aniline,
MIX-0972,
ZX-BK002819,
BBL021933,
KM4351,
MFCD09832490,
STK894650,
ZINC22917477,
AKOS005144494,
MCULE-5314092001,
N-(4-chlorophenyl)-N-(2-piperazinoethyl)amine,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.747g/mol |
| Monoisotopic Mass | 239.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number