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137160-01-1 | Guanidine, N-(3-azidophenyl)-N-methyl-N'-1-naphthalenyl-
CAS No: 137160-01-1 Catalog No: AG0012VI MDL No:
Product Description
Catalog Number:
AG0012VI
Chemical Name:
Guanidine, N-(3-azidophenyl)-N-methyl-N'-1-naphthalenyl-
CAS Number:
137160-01-1
Molecular Formula:
C18H16N6
Molecular Weight:
316.3598
IUPAC Name:
1-(3-azidophenyl)-1-methyl-2-naphthalen-1-ylguanidine
InChI:
InChI=1S/C18H16N6/c1-24(15-9-5-8-14(12-15)22-23-20)18(19)21-17-11-4-7-13-6-2-3-10-16(13)17/h2-12H,1H3,(H2,19,21)
InChI Key:
ZXJRJDHOPCFNGZ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cccc(c1)N(C(=N)Nc1cccc2c1cccc2)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.144g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.368g/mol
Monoisotopic Mass:
316.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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