| CAS Number | 1016703-42-6 |
| Catalog Number | AG019MZ1 |
| Chemical Name | 1-{2-[(4-phenylpiperazin-1-yl)methyl]phenyl}methanamine |
| IUPAC Name | [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine |
| InChI | InChI=1S/C18H23N3/c19-14-16-6-4-5-7-17(16)15-20-10-12-21(13-11-20)18-8-2-1-3-9-18/h1-9H,10-15,19H2 |
| InChI Key | ZZHCKLZZRXPGSD-UHFFFAOYSA-N |
| MDL Number | MFCD09802910 |
| Molecular Formula | C18H23N3 |
| Molecular Weight | 281.3953 |
| SMILES | NCC1=C(CN2CCN(C3=CC=CC=C3)CC2)C=CC=C1 |
| Synonyms | {2-[(4-phenylpiperazin-1-yl)methyl]phenyl}methanamine,
1016703-42-6,
1-{2-[(4-phenylpiperazin-1-yl)methyl]phenyl}methanamine,
AC1Q53S2,
CTK7E5990,
ZINC19407964,
AKOS000160902,
MCULE-7679560020,
NE14459,
EN300-38982,
AB01007423-01,
Z398556856,
1-(2-[(4-phenylpiperazin-1-yl)methyl]phenyl)methanamine,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.403g/mol |
| Monoisotopic Mass | 281.189g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number