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160469-44-3 | Benzenamine, N,N-dibutyl-4-ethenyl-
CAS No: 160469-44-3 Catalog No: AG001RXW MDL No:
Product Description
Catalog Number:
AG001RXW
Chemical Name:
Benzenamine, N,N-dibutyl-4-ethenyl-
CAS Number:
160469-44-3
Molecular Formula:
C16H25N
Molecular Weight:
231.3764
IUPAC Name:
N,N-dibutyl-4-ethenylaniline
InChI:
InChI=1S/C16H25N/c1-4-7-13-17(14-8-5-2)16-11-9-15(6-3)10-12-16/h6,9-12H,3-5,7-8,13-14H2,1-2H3
InChI Key:
KAVBRFJCUBOPFC-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)C=C)CCCC
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.383g/mol
Monoisotopic Mass:
231.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| Vibrational and quantum-chemical study of nonlinear optical chromophores containing dithienothiophene as the electron relay. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040806 |
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