| CAS Number | 55403-32-2 |
| Catalog Number | AG00DOLX(AGN-PC-0WC3WO) |
| Chemical Name | 4-(4-Benzyl-1-piperazinyl)-3-chlorophenylamine |
| IUPAC Name | 4-(4-benzylpiperazin-1-yl)-3-chloroaniline |
| InChI | InChI=1S/C17H20ClN3/c18-16-12-15(19)6-7-17(16)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,19H2 |
| InChI Key | GASJCBVHHUXXCQ-UHFFFAOYSA-N |
| MDL Number | MFCD07365136 |
| Molecular Formula | C17H20ClN3 |
| Molecular Weight | 301.8138 |
| SMILES | C(C1=CC=CC=C1)N1CCN(CC1)C1=C(C=C(N)C=C1)Cl |
| Synonyms | 4-(4-benzylpiperazin-1-yl)-3-chloroaniline,
4-(4-BENZYL-1-PIPERAZINYL)-3-CHLOROPHENYLAMINE,
55403-32-2,
AC1Q51M5,
SCHEMBL11836396,
CTK7D6505,
ZINC8701195,
5527AE,
AKOS000102675,
MCULE-9206117323,
NE13625,
AJ-58545,
TR-068157,
EN300-52548,
C17H20ClN3,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.818g/mol |
| Monoisotopic Mass | 301.135g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number