3-(Trifluoromethyl)pyrrolidine-3-carboxylic Acid Hydrochloride - CAS 1235439-68-5
Catalog: |
BB005713 |
Product Name: |
3-(Trifluoromethyl)pyrrolidine-3-carboxylic Acid Hydrochloride |
CAS: |
1235439-68-5 |
Synonyms: |
3-(trifluoromethyl)-3-pyrrolidinecarboxylic acid;hydrochloride; 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride |
IUPAC Name: | 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride |
Description: | 3-(Trifluoromethyl)pyrrolidine-3-carboxylic Acid Hydrochloride (CAS# 1235439-68-5) is a useful research chemical. |
Molecular Weight: | 219.59 |
Molecular Formula: | C6H9ClF3NO2 |
Canonical SMILES: | C1CNCC1(C(=O)O)C(F)(F)F.Cl |
InChI: | InChI=1S/C6H8F3NO2.ClH/c7-6(8,9)5(4(11)12)1-2-10-3-5;/h10H,1-3H2,(H,11,12);1H |
InChI Key: | VVFTWUPZMBRHLD-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.0273907 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.0273907 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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