| CAS Number | 99944-02-2 |
| Catalog Number | AG00J1ME(AGN-PC-0004D0) |
| Chemical Name | (1-benzyl-4-piperidinyl)acetic acid hydrochloride |
| IUPAC Name | 2-(1-benzylpiperidin-4-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C14H19NO2.ClH/c16-14(17)10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13;/h1-5,12H,6-11H2,(H,16,17);1H |
| InChI Key | GBHAAUKHXCERKW-UHFFFAOYSA-N |
| MDL Number | MFCD13250102 |
| Molecular Formula | C14H20ClNO2 |
| Molecular Weight | 269.7671 |
| SMILES | N1(CCC(CC1)CC(O)=O)CC1C=CC=CC=1.Cl |
| Synonyms | 2-(1-Benzylpiperidin-4-yl)acetic acid hydrochloride,
99944-02-2,
(1-benzylpiperidin-4-yl)acetic acid hydrochloride,
1-BENZYL-4-PIPERIDINE ACETIC ACID,
SCHEMBL9537230,
GBHAAUKHXCERKW-UHFFFAOYSA-N,
ZX-CM005136,
7020AC,
MFCD13250102,
AKOS015893257,
SC-33260,
AX8223737,
(1-benzyl-4-piperidinyl)acetic acid hydrochloride,
I04-4670,
1-(phenylmethyl)-4-piperidineacetic acid hydrochloride,
C14H20ClNO2,
2-(1-Benzylpiperidin-4-yl)aceticacidhydrochloride,
130927-83-2,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.769g/mol |
| Monoisotopic Mass | 269.118g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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