| CAS Number | 1255717-79-3 |
| Catalog Number | AG00HIBT(AGN-PC-0WB6KI) |
| Chemical Name | 1-Ethylpiperidine-3-carbaldehyde hydrochloride |
| IUPAC Name | 1-ethylpiperidine-3-carbaldehyde;hydrochloride |
| InChI | InChI=1S/C8H15NO.ClH/c1-2-9-5-3-4-8(6-9)7-10;/h7-8H,2-6H2,1H3;1H |
| InChI Key | IEMKRGCIYBECJP-UHFFFAOYSA-N |
| MDL Number | MFCD09864359 |
| Molecular Formula | C8H16ClNO |
| Molecular Weight | 177.6717 |
| SMILES | N1(CC)CCCC(C=O)C1.Cl |
| Synonyms | 1-Ethylpiperidine-3-carbaldehyde hydrochloride,
1255717-79-3,
1-Ethyl-3-piperidinecarbaldehyde hydrochloride,
ZX-CM004878,
MFCD09864359,
AKOS027426221,
1-Ethylpiperidine-3-carbaldehyde hydrochloride, AldrichCPR,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.672g/mol |
| Monoisotopic Mass | 177.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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