1,3-Di-o-tolylguanidine

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Catalog Number
ACM97392-1
Product Name
1,3-Di-o-tolylguanidine
Structure
Structure
CAS
97-39-2
Category
Heterocyclic Organic Compound
Synonyms
Di-o-tolylguanidine
IUPAC Name
1,2-Bis(2-methylphenyl)guanidine
Molecular Weight
239.32
Molecular Formula
C15H17N3
Canonical SMILES
CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N
InChI
InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
InChI Key
OPNUROKCUBTKLF-UHFFFAOYSA-N
Boiling Point
371.98 °C
Melting Point
176-178 °C
Density
1.10 g/cm3
Complexity
288
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
239.142247555
Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
239.142247555
Physical State
Greyish white powder
Rotatable Bond Count
3
Topological Polar Surface Area
50.4 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
MSDS
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COA
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Spec Sheet
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