Home Carboxys 1-benzyl-4-methylpyrrolidine-3-carboxylic acid hydrochloride, Mixture of diastereomers

1-benzyl-4-methylpyrrolidine-3-carboxylic acid hydrochloride, Mixture of diastereomers

CAS No.:
1955561-60-0
Catalog Number:
AG01ALU9
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
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Product Description
Catalog Number:
AG01ALU9
Chemical Name:
1-benzyl-4-methylpyrrolidine-3-carboxylic acid hydrochloride, Mixture of diastereomers
CAS Number:
1955561-60-0
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD28954442
IUPAC Name:
1-benzyl-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H17NO2.ClH/c1-10-7-14(9-12(10)13(15)16)8-11-5-3-2-4-6-11;/h2-6,10,12H,7-9H2,1H3,(H,15,16);1H
InChI Key:
LMIYAFDIBZOKSL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(CC1C)Cc1ccccc1.Cl
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties