Home Carboxys trans-1-Benzyl-4-(p-tolyl)pyrrolidine-3-carboxylic acid hydrochloride

trans-1-Benzyl-4-(p-tolyl)pyrrolidine-3-carboxylic acid hydrochloride

CAS No.:
1956309-30-0
Catalog Number:
AG00IMOC
Molecular Formula:
C19H22ClNO2
Molecular Weight:
331.8365
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Product Description
Catalog Number:
AG00IMOC
Chemical Name:
trans-1-Benzyl-4-(p-tolyl)pyrrolidine-3-carboxylic acid hydrochloride
CAS Number:
1956309-30-0
Molecular Formula:
C19H22ClNO2
Molecular Weight:
331.8365
MDL Number:
MFCD28986195
IUPAC Name:
(3R,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C19H21NO2.ClH/c1-14-7-9-16(10-8-14)17-12-20(13-18(17)19(21)22)11-15-5-3-2-4-6-15;/h2-10,17-18H,11-13H2,1H3,(H,21,22);1H/t17-,18+;/m1./s1
InChI Key:
SDUOBCQOWMQFLQ-URBRKQAFSA-N
SMILES:
OC(=O)[C@H]1CN(C[C@@H]1c1ccc(cc1)C)Cc1ccccc1.Cl
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
331.134g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
331.84g/mol
Monoisotopic Mass:
331.134g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties