Home Other Building Blocks 2-ethyl-3-(4-methylphenyl)pyrrolidine, Mixture of diastereomers

2-ethyl-3-(4-methylphenyl)pyrrolidine, Mixture of diastereomers

CAS No.:
1248180-04-2
Catalog Number:
AG019SNK
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
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Product Description
Catalog Number:
AG019SNK
Chemical Name:
2-ethyl-3-(4-methylphenyl)pyrrolidine, Mixture of diastereomers
CAS Number:
1248180-04-2
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
MDL Number:
MFCD16737678
IUPAC Name:
2-ethyl-3-(4-methylphenyl)pyrrolidine
InChI:
InChI=1S/C13H19N/c1-3-13-12(8-9-14-13)11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3
InChI Key:
KYIWPQXKLVGLKP-UHFFFAOYSA-N
SMILES:
CCC1NCCC1c1ccc(cc1)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties