| CAS Number | 1810070-21-3 |
| Catalog Number | AG0022L4(AGN-PC-0WANFU) |
| Chemical Name | (4-(4-Methylpiperazin-1-yl)phenyl)methanamine hydrochloride |
| IUPAC Name | [4-(4-methylpiperazin-1-yl)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H19N3.ClH/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12;/h2-5H,6-10,13H2,1H3;1H |
| InChI Key | UNXRTSVFJOGWFZ-UHFFFAOYSA-N |
| MDL Number | MFCD28144943 |
| Molecular Formula | C12H20ClN3 |
| Molecular Weight | 241.7603 |
| SMILES | Cl[H].CN1CCN(CC1)C1=CC=C(CN)C=C1 |
| Synonyms | (4-(4-Methylpiperazin-1-yl)phenyl)methanamine hydrochloride,
1810070-21-3,
AK163394,
KS-00000SOE,
MFCD28144943,
AKOS024464919,
DS-8054,
Benzenemethanamine, 4-(4-methyl-1-piperazinyl)-, hydrochloride (1:1),
UNXRTSVFJOGWFZ-UHFFFAOYSA-N,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.763g/mol |
| Monoisotopic Mass | 241.135g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
|
Certificate of Analysis
Lot Number