Ethyl pyrrolidine-3-carboxylate hydrochloride - CAS 80028-44-0
Catalog: |
BB065583 |
Product Name: |
Ethyl pyrrolidine-3-carboxylate hydrochloride |
CAS: |
80028-44-0 |
Synonyms: |
ETHYL PYRROLIDINE-3-CARBOXYLATE HYDROCHLORIDE; ethyl pyrrolidine-3-carboxylate HCl; Ethyl pyrrolidine-3-carboxylate, HCl; 3-Pyrrolidinecarboxylic acid, ethyl ester, hydrochloride; ethyl pyrrolidine-3-carboxylate; hydrochloride; DL-beta-Proline ethyl ester hydrochloride |
IUPAC Name: | ethyl pyrrolidine-3-carboxylatehydrochloride |
Molecular Weight: | 179.65 |
Molecular Formula: | C7H14ClNO2 |
Canonical SMILES: | CCOC(=O)C1CCNC1.Cl |
InChI: | InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-3-4-8-5-6/h6,8H,2-5H2,1H31H |
InChI Key: | AYYKCALHTPKNOI-UHFFFAOYSA-N |
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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0713064 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0713064 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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