Home Nitriles 4-({[2-(dimethylamino)ethyl]amino}methyl)benzonitrile

4-({[2-(dimethylamino)ethyl]amino}methyl)benzonitrile

CAS No.:
572881-32-4
Catalog Number:
AG019UCG
Molecular Formula:
C12H17N3
Molecular Weight:
203.2835
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Product Description
Catalog Number:
AG019UCG
Chemical Name:
4-({[2-(dimethylamino)ethyl]amino}methyl)benzonitrile
CAS Number:
572881-32-4
Molecular Formula:
C12H17N3
Molecular Weight:
203.2835
MDL Number:
MFCD09731903
IUPAC Name:
4-[[2-(dimethylamino)ethylamino]methyl]benzonitrile
InChI:
InChI=1S/C12H17N3/c1-15(2)8-7-14-10-12-5-3-11(9-13)4-6-12/h3-6,14H,7-8,10H2,1-2H3
InChI Key:
DWOXVBNFWCMWBV-UHFFFAOYSA-N
SMILES:
CN(CCNCc1ccc(cc1)C#N)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.142g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.289g/mol
Monoisotopic Mass:
203.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties