| CAS Number | 1234615-77-0 |
| Catalog Number | AG00A2JH(AGN-PC-0WA9Z3) |
| Chemical Name | 4-AMINOMETHYL-2-PIPERIDONE |
| IUPAC Name | 4-(aminomethyl)piperidin-2-one |
| InChI | InChI=1S/C6H12N2O/c7-4-5-1-2-8-6(9)3-5/h5H,1-4,7H2,(H,8,9) |
| InChI Key | BSSUPYKXVPAKLX-UHFFFAOYSA-N |
| MDL Number | MFCD17015879 |
| Molecular Formula | C6H12N2O |
| Molecular Weight | 128.1723 |
| SMILES | NCC1CC(=O)NCC1 |
| Synonyms | 4-aminomethyl-2-piperidone,
4-(AMINOMETHYL)PIPERIDIN-2-ONE,
1234615-77-0,
SCHEMBL319650,
4-Aminomethyl-2-piperidon...,
AMPD00097,
BSSUPYKXVPAKLX-UHFFFAOYSA-N,
AKOS022183291,
PB30164,
AM803060,
DA-13953,
2(1H)-Pyridinone,4-(aminomethyl)-(9CI),
TC-157400,
CS-0036410,
FT-0753363,
Q-3118,
4-(Aminomethyl)pyridin-2(1H)-one,
4-(AMINOMETHYL)-2(1H)-PYRIDINONE,
131052-82-9,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.175g/mol |
| Monoisotopic Mass | 128.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number