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127680-80-2 | 4-Pyridinecarbonitrile, 2-[(1,1-dimethylethyl)amino]-
CAS No: 127680-80-2 Catalog No: AG000XA8 MDL No:
Product Description
Catalog Number:
AG000XA8
Chemical Name:
4-Pyridinecarbonitrile, 2-[(1,1-dimethylethyl)amino]-
CAS Number:
127680-80-2
Molecular Formula:
C10H13N3
Molecular Weight:
175.2303
IUPAC Name:
2-(tert-butylamino)pyridine-4-carbonitrile
InChI:
InChI=1S/C10H13N3/c1-10(2,3)13-9-6-8(7-11)4-5-12-9/h4-6H,1-3H3,(H,12,13)
InChI Key:
VYXMKEHFMRMLDO-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)NC(C)(C)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:
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:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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