| CAS Number | 50678-87-0 |
| Catalog Number | AG00DZ5V(AGN-PC-0WB778) |
| Chemical Name | 1-Isopropylpiperidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 1-propan-2-ylpiperidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H17NO2.ClH/c1-7(2)10-5-3-4-8(6-10)9(11)12;/h7-8H,3-6H2,1-2H3,(H,11,12);1H |
| InChI Key | AYFNNEQQHBWBAT-UHFFFAOYSA-N |
| MDL Number | MFCD06800892 |
| Molecular Formula | C9H18ClNO2 |
| Molecular Weight | 207.6977 |
| SMILES | N1(CCCC(C(O)=O)C1)C(C)C.Cl |
| Synonyms | 1-Isopropylpiperidine-3-carboxylic acid hydrochloride,
50678-87-0,
1-isopropyl-piperidine-3-carboxylicacidhydrochloride,
JSPY-st000275,
CTK7I9426,
4485AE,
MFCD06800892,
AKOS015846983,
DB-071240,
TR-043276,
FT-0744867,
I12-0568,
1-Isopropyl-3-piperidinecarboxylic acid hydrochloride,
Z1695972376,
1-(propan-2-yl)piperidine-3-carboxylic acid hydrochloride,
1-ISOPROPYL-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE,
1-Isopropylpiperidine-3-carboxylic acid hydrochloride, AldrichCPR,
C9H18ClNO2,
N/A,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.698g/mol |
| Monoisotopic Mass | 207.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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