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Home > Imidazoles > 1251393-72-2
1251393-72-2 | 5-(4,5-dimethyl-1H-imidazol-1-yl)pentanenitrile
CAS No: 1251393-72-2 Catalog No: AG01B1VY MDL No:MFCD16715756
Product Description
Catalog Number:
AG01B1VY
Chemical Name:
5-(4,5-dimethyl-1H-imidazol-1-yl)pentanenitrile
CAS Number:
1251393-72-2
Molecular Formula:
C10H15N3
Molecular Weight:
177.2462
MDL Number:
MFCD16715756
IUPAC Name:
5-(4,5-dimethylimidazol-1-yl)pentanenitrile
InChI:
InChI=1S/C10H15N3/c1-9-10(2)13(8-12-9)7-5-3-4-6-11/h8H,3-5,7H2,1-2H3
InChI Key:
IBWOQQSLJWWDML-UHFFFAOYSA-N
SMILES:
N#CCCCCn1cnc(c1C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.251g/mol
Monoisotopic Mass:
177.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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