Home Carboxys 4-amino-1-benzylpyrrolidine-3-carboxylic acid dihydrochloride

4-amino-1-benzylpyrrolidine-3-carboxylic acid dihydrochloride

CAS No.:
474317-65-2
Catalog Number:
AG01ELJJ
Molecular Formula:
C12H18Cl2N2O2
Molecular Weight:
293.1895
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Product Description
Catalog Number:
AG01ELJJ
Chemical Name:
4-amino-1-benzylpyrrolidine-3-carboxylic acid dihydrochloride
CAS Number:
474317-65-2
Molecular Formula:
C12H18Cl2N2O2
Molecular Weight:
293.1895
MDL Number:
MFCD04039854
IUPAC Name:
4-amino-1-benzylpyrrolidine-3-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C12H16N2O2.2ClH/c13-11-8-14(7-10(11)12(15)16)6-9-4-2-1-3-5-9;;/h1-5,10-11H,6-8,13H2,(H,15,16);2*1H
InChI Key:
PXXXCHSBOLQHSN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(CC1N)Cc1ccccc1.Cl.Cl
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.075g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
293.188g/mol
Monoisotopic Mass:
292.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties