3-Pyrrolidineacetic Acid Methyl Ester Hydrochloride - CAS 1126794-67-9
Catalog: |
BB075723 |
Product Name: |
3-Pyrrolidineacetic Acid Methyl Ester Hydrochloride |
CAS: |
1126794-67-9 |
Synonyms: |
METHYL 2-(PYRROLIDIN-3-YL)ACETATE HYDROCHLORIDE; methyl 2-pyrrolidin-3-ylacetate; hydrochloride; 3-Pyrrolidineacetic Acid Methyl Ester Hydrochloride; Methyl 2-(pyrrolidin-3-yl)acetate HCl; 3-Pyrrolidineacetic acid methyl ester HCl |
IUPAC Name: | methyl 2-pyrrolidin-3-ylacetatehydrochloride |
Description: | 3-Pyrrolidineacetic Acid Methyl Ester Hydrochloride is an intermediate in the preparation of quinoxaline-piperidine derivatives as ORL1 receptor modulators useful in the treatment of diseases. |
Molecular Weight: | 179.64 |
Molecular Formula: | C7H14ClNO2 |
Canonical SMILES: | COC(=O)CC1CCNC1.Cl |
InChI: | InChI=1S/C7H13NO2.ClH/c1-10-7(9)4-6-2-3-8-5-6/h6,8H,2-5H2,1H31H |
InChI Key: | ZDVXNHFLFAPGGA-UHFFFAOYSA-N |
References: | Goehring, R.R., et al. PCT Int. Appl. WO 2009027820 A2 20090305. Mar 5, 2009. |
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: | 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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