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102206-80-4 | 3,4,5-Pyridinetricarbonitrile, 2-amino-6-[(3-methoxypropyl)amino]-
CAS No: 102206-80-4 Catalog No: AG0006WL MDL No:
Product Description
Catalog Number:
AG0006WL
Chemical Name:
3,4,5-Pyridinetricarbonitrile, 2-amino-6-[(3-methoxypropyl)amino]-
CAS Number:
102206-80-4
Molecular Formula:
C12H12N6O
Molecular Weight:
256.2633
IUPAC Name:
2-amino-6-(3-methoxypropylamino)pyridine-3,4,5-tricarbonitrile
InChI:
InChI=1S/C12H12N6O/c1-19-4-2-3-17-12-10(7-15)8(5-13)9(6-14)11(16)18-12/h2-4H2,1H3,(H3,16,17,18)
InChI Key:
IPXPYYWXAZZTMO-UHFFFAOYSA-N
SMILES:
COCCCNc1nc(N)c(c(c1C#N)C#N)C#N
NSC Number:
663618
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.269g/mol
Monoisotopic Mass:
256.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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