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2112-99-4 | 1H-Naphtho[1,8-de]-1,2,3-triazin-1-amine
CAS No: 2112-99-4 Catalog No: AG002L7S MDL No:
Product Description
Catalog Number:
AG002L7S
Chemical Name:
1H-Naphtho[1,8-de]-1,2,3-triazin-1-amine
CAS Number:
2112-99-4
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
IUPAC Name:
2,3,4-triazatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-2-amine
InChI:
InChI=1S/C10H8N4/c11-14-9-6-2-4-7-3-1-5-8(10(7)9)12-13-14/h1-6H,11H2
InChI Key:
GTIKCUOEXAKRNT-UHFFFAOYSA-N
SMILES:
Nn1nnc2c3c1cccc3ccc2
NSC Number:
149066
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.202g/mol
Monoisotopic Mass:
184.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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