4-Ethylpiperidine-4-carboxylic Acid Methyl Ester Hydrochloride - CAS 1205749-08-1
Catalog: |
BB063235 |
Product Name: |
4-Ethylpiperidine-4-carboxylic Acid Methyl Ester Hydrochloride |
CAS: |
1205749-08-1 |
Synonyms: |
methyl 4-ethylpiperidine-4-carboxylate hydrochloride; Methyl 4-ethyl-4-piperidinecarboxylate hydrochloride; methyl 4-ethylpiperidine-4-carboxylate; hydrochloride |
IUPAC Name: | methyl 4-ethylpiperidine-4-carboxylatehydrochloride |
Molecular Weight: | 171.23 + (36.46) |
Molecular Formula: | C9H17NO2·HCl |
Canonical SMILES: | CCC1(CCNCC1)C(=O)OC.Cl |
InChI: | InChI=1S/C9H17NO2.ClH/c1-3-9(8(11)12-2)4-6-10-7-5-9/h10H,3-7H2,1-2H31H |
InChI Key: | MVPPUJFJCDITEH-UHFFFAOYSA-N |
References: | Abeywardane, A., et.al. Argent., Pat. Appl., 107, (2013). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.1026065 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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