| CAS Number | 936940-70-4 |
| Catalog Number | AG00J1A6(AGN-PC-0WB3G0) |
| Chemical Name | 1-(2-Aminoethyl)piperidine-3-carboxamide |
| IUPAC Name | 1-(2-aminoethyl)piperidine-3-carboxamide |
| InChI | InChI=1S/C8H17N3O/c9-3-5-11-4-1-2-7(6-11)8(10)12/h7H,1-6,9H2,(H2,10,12) |
| InChI Key | QYHIPQYZJBJCQN-UHFFFAOYSA-N |
| MDL Number | MFCD09055289 |
| Molecular Formula | C8H17N3O |
| Molecular Weight | 171.2401 |
| SMILES | C1(CCCN(CCN)C1)C(N)=O |
| Synonyms | 1-(2-Aminoethyl)piperidine-3-carboxamide,
936940-70-4,
SCHEMBL12011335,
CTK7E8663,
MFCD09055289,
AKOS000147199,
AKOS022184989,
MCULE-8166617549,
1-(2-Aminoethyl)-3-piperidinecarboxamide,
Y-5115,
1-(2-Aminoethyl)piperidine-3-carboxamide, AldrichCPR,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.244g/mol |
| Monoisotopic Mass | 171.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number