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60560-39-6 | 2-Cyano-1-neopentyl-3-(4-pyridyl)guanidine
CAS No: 60560-39-6 Catalog No: AG00ERL5 MDL No:
Product Description
Catalog Number:
AG00ERL5
Chemical Name:
2-Cyano-1-neopentyl-3-(4-pyridyl)guanidine
CAS Number:
60560-39-6
IUPAC Name:
1-cyano-2-(2,2-dimethylpropyl)-3-pyridin-4-ylguanidine
InChI:
InChI=1S/C12H17N5/c1-12(2,3)8-15-11(16-9-13)17-10-4-6-14-7-5-10/h4-7H,8H2,1-3H3,(H2,14,15,16,17)
InChI Key:
ROBGTOPHXVNLTK-UHFFFAOYSA-N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.303g/mol
Monoisotopic Mass:
231.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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