| CAS Number | 1205749-97-8 |
| Catalog Number | AG0099U0(AGN-PC-0WA8VD) |
| Chemical Name | 3-Methylpiperidine-3-carbonitrile, HCl |
| IUPAC Name | 3-methylpiperidine-3-carbonitrile;hydrochloride |
| InChI | InChI=1S/C7H12N2.ClH/c1-7(5-8)3-2-4-9-6-7;/h9H,2-4,6H2,1H3;1H |
| InChI Key | AGURFPBGAFCODY-UHFFFAOYSA-N |
| MDL Number | MFCD12406587 |
| Molecular Formula | C7H13ClN2 |
| Molecular Weight | 160.6445 |
| SMILES | N#CC1(CCCNC1)C.Cl |
| Synonyms | 1205749-97-8,
3-methylpiperidine-3-carbonitrile hydrochloride,
3-CYANO-3-METHYLPIPERIDINE HCL,
3-CYANO-3-METHYLPIPERIDINE HYDROCHLORIDE,
DTXSID30857180,
0973AD,
MFCD12406587,
AKOS024015509,
NE46536,
SB16182,
3-Methylpiperidine-3-carbonitrile, HCl,
AS-36455,
Z1964347733,
3-Methyl-3-piperidinecarbonitrile hydrochloride, AldrichCPR,
3-Methylpiperidine-3-carbonitrile--hydrogen chloride (1/1),
C7H13ClN2,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.645g/mol |
| Monoisotopic Mass | 160.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number