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102300-50-5 | Benzenemethanamine, N-ethyl-N-[4-[2-(2-thiazolyl)diazenyl]phenyl]-
CAS No: 102300-50-5 Catalog No: AG00076M MDL No:
Product Description
Catalog Number:
AG00076M
Chemical Name:
Benzenemethanamine, N-ethyl-N-[4-[2-(2-thiazolyl)diazenyl]phenyl]-
CAS Number:
102300-50-5
Molecular Formula:
C18H18N4S
Molecular Weight:
322.4273
IUPAC Name:
N-benzyl-N-ethyl-4-(1,3-thiazol-2-yldiazenyl)aniline
InChI:
InChI=1S/C18H18N4S/c1-2-22(14-15-6-4-3-5-7-15)17-10-8-16(9-11-17)20-21-18-19-12-13-23-18/h3-13H,2,14H2,1H3
InChI Key:
XJBZXJACMZSCHF-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=Nc1nccs1)Cc1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.43g/mol
Monoisotopic Mass:
322.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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