| CAS Number | 1193388-82-7 |
| Catalog Number | AG019WG5(AGN-PC-0WO0ZF) |
| Chemical Name | 1-(Prop-2-yn-1-yl)piperidine-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-prop-2-ynylpiperidine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H13NO2.ClH/c1-2-5-10-6-3-8(4-7-10)9(11)12;/h1,8H,3-7H2,(H,11,12);1H |
| InChI Key | YUTRNRTYQNFZBP-UHFFFAOYSA-N |
| MDL Number | MFCD12913026 |
| Molecular Formula | C9H14ClNO2 |
| Molecular Weight | 203.6660 |
| SMILES | Cl.OC(C1CCN(CC#C)CC1)=O |
| Synonyms | 1-(prop-2-yn-1-yl)piperidine-4-carboxylic acid hydrochloride,
EN300-51850,
1193388-82-7,
AC1Q3EZ2,
CTK5J0761,
AKOS026726391,
MCULE-2178113635,
NE21511,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.666g/mol |
| Monoisotopic Mass | 203.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number