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887578-93-0 | 3-Pyridinebutanimidamide
CAS No: 887578-93-0 Catalog No: AG004CER MDL No:
Product Description
Catalog Number:
AG004CER
Chemical Name:
3-Pyridinebutanimidamide
CAS Number:
887578-93-0
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
IUPAC Name:
4-pyridin-3-ylbutanimidamide
InChI:
InChI=1S/C9H13N3/c10-9(11)5-1-3-8-4-2-6-12-7-8/h2,4,6-7H,1,3,5H2,(H3,10,11)
InChI Key:
UYRFJJJSEKLZRY-UHFFFAOYSA-N
SMILES:
NC(=N)CCCc1cccnc1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.224g/mol
Monoisotopic Mass:
163.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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