Home Carboxys (3S,4S)-4-benzylpyrrolidine-3-carboxylic acid hydrochloride

(3S,4S)-4-benzylpyrrolidine-3-carboxylic acid hydrochloride

CAS No.:
2137134-80-4
Catalog Number:
AG01ELOT
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
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Product Description
Catalog Number:
AG01ELOT
Chemical Name:
(3S,4S)-4-benzylpyrrolidine-3-carboxylic acid hydrochloride
CAS Number:
2137134-80-4
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD31583630
IUPAC Name:
(3S,4S)-4-benzylpyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c14-12(15)11-8-13-7-10(11)6-9-4-2-1-3-5-9;/h1-5,10-11,13H,6-8H2,(H,14,15);1H/t10-,11-;/m1./s1
InChI Key:
YDBKSIJCUSXVTD-NDXYWBNTSA-N
SMILES:
OC(=O)[C@@H]1CNC[C@H]1Cc1ccccc1.Cl
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties