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13134-39-9 | 2-Pyrazinamine, N-butyl-3,6-dimethyl-
CAS No: 13134-39-9 Catalog No: AG000VZB MDL No:
Product Description
Catalog Number:
AG000VZB
Chemical Name:
2-Pyrazinamine, N-butyl-3,6-dimethyl-
CAS Number:
13134-39-9
Molecular Formula:
C10H17N3
Molecular Weight:
179.2621
IUPAC Name:
N-butyl-3,6-dimethylpyrazin-2-amine
InChI:
InChI=1S/C10H17N3/c1-4-5-6-11-10-9(3)12-7-8(2)13-10/h7H,4-6H2,1-3H3,(H,11,13)
InChI Key:
XBLDYEIENDPMDB-UHFFFAOYSA-N
SMILES:
CCCCNc1nc(C)cnc1C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.267g/mol
Monoisotopic Mass:
179.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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