| CAS Number | 901313-95-9 |
| Catalog Number | AG00JI6P(AGN-PC-0WALDI) |
| Chemical Name | 1-Isobutylpiperidine-4-carboxylic acid |
| IUPAC Name | 1-(2-methylpropyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C10H19NO2/c1-8(2)7-11-5-3-9(4-6-11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13) |
| InChI Key | YMUSMYLWAKSOCO-UHFFFAOYSA-N |
| MDL Number | MFCD03371488 |
| Molecular Formula | C10H19NO2 |
| Molecular Weight | 185.2634 |
| SMILES | CC(CN1CCC(CC1)C(=O)O)C |
| Synonyms | 1-isobutylpiperidine-4-carboxylic acid,
901313-95-9,
4-Piperidinecarboxylic acid, 1-(2-methylpropyl)-,
AC1Q1PMA,
SCHEMBL321619,
CTK6A8371,
ALBB-029722,
ZINC8727475,
MFCD03371488,
AKOS009094884,
MCULE-9333300659,
NE40556,
EN300-35619,
1-(2-methylpropyl)piperidine-4-carboxylic acid,
4-Piperidinecarboxylic acid, 1-(2-methylpropyl),
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.267g/mol |
| Monoisotopic Mass | 185.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number