3-​Pyrrolidinecarboxyli​c acid, 4-​(4-​cyanophenyl)​-​, hydrochloride (1:1)​, (3S,​4R)​-
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3-​Pyrrolidinecarboxyli​c acid, 4-​(4-​cyanophenyl)​-​, hydrochloride (1:1)​, (3S,​4R)​-

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Category
Cyclic Amino Acids
Catalog number
BAT-013965
CAS number
1049735-02-5
Molecular Formula
C12H13ClN2O2
Molecular Weight
252.7
IUPAC Name
(3S,4R)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Synonyms
(±)-trans-4-(4-cyano-phenyl)-pyrrolidine-3-carboxylic acid HCl
Related CAS
1049978-77-9 (free base) 2098496-76-3 (3R,4S) 1956355-86-4 (3R,4S)
Appearance
White Powder
Purity
≥ 98% by HPLC
Melting Point
236-242 °C
Storage
Store at 2-8 °C
InChI
InChI=1S/C12H12N2O2.ClH/c13-5-8-1-3-9(4-2-8)10-6-14-7-11(10)12(15)16;/h1-4,10-11,14H,6-7H2,(H,15,16);1H/t10-,11+;/m0./s1
InChI Key
ASTRZKUPOGLBSP-VZXYPILPSA-N
Canonical SMILES
C1C(C(CN1)C(=O)O)C2=CC=C(C=C2)C#N.Cl
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