Home Nitriles 4-methyl-3-(pyrrolidin-1-yl)benzonitrile

4-methyl-3-(pyrrolidin-1-yl)benzonitrile

CAS No.:
1513149-33-1
Catalog Number:
AG01B1DF
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
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Product Description
Catalog Number:
AG01B1DF
Chemical Name:
4-methyl-3-(pyrrolidin-1-yl)benzonitrile
CAS Number:
1513149-33-1
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD23746608
IUPAC Name:
4-methyl-3-pyrrolidin-1-ylbenzonitrile
InChI:
InChI=1S/C12H14N2/c1-10-4-5-11(9-13)8-12(10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
SLBSJZYGICAGDI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N1CCCC1)C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties