Molecule structure of CCRIS 8790 (CAS NO.7314-08-1) :
IUPAC Name: 4-[(E)-2-(4-methylphenyl)ethenyl]aniline
Molecular Weight: 209.2863 g/mol
Molecular Formula: C15H15N
XLogP3: 3.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 209.120449
MonoIsotopic Mass: 209.120449
Topological Polar Surface Area: 26
Heavy Atom Count: 16
Complexity: 218
Canonical SMILES: CC1=CC=C(C=C1)C=CC2=CC=C(C=C2)N
Isomeric SMILES: CC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N
InChI: InChI=1S/C15H15N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-11H,16H2,1H3/b7-6+
InChIKey of CCRIS 8790 (CAS NO.7314-08-1) : IYLUPPNUGBEWFI-VOTSOKGWSA-N
1. | mic-sat 6.25 µLg/plate/48H | MUREAV Mutation Research. 491 (2001),195. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
CCRIS 8790 (CAS NO.7314-08-1) is also called trans-4'-Methyl-4-aminostilbene .
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