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74611-50-0 | 2-(Butylamino);nicotinonitrile
CAS No: 74611-50-0 Catalog No: AG005J41 MDL No:MFCD08460989
Product Description
Catalog Number:
AG005J41
Chemical Name:
2-(Butylamino);nicotinonitrile
CAS Number:
74611-50-0
Molecular Formula:
C10H13N3
Molecular Weight:
175.2303
MDL Number:
MFCD08460989
IUPAC Name:
2-(butylamino)pyridine-3-carbonitrile
InChI:
InChI=1S/C10H13N3/c1-2-3-6-12-10-9(8-11)5-4-7-13-10/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChI Key:
DZVGEWIXPIPSSJ-UHFFFAOYSA-N
SMILES:
CCCCNc1ncccc1C#N
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.235g/mol
Monoisotopic Mass:
175.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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