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793-24-8 | N1-(4-Methylpentan-2-yl)-N4-phenylbenzene-1,4-diamine
CAS No: 793-24-8 Catalog No: AG003S76 MDL No:MFCD00072248
Product Description
Catalog Number:
AG003S76
Chemical Name:
N1-(4-Methylpentan-2-yl)-N4-phenylbenzene-1,4-diamine
CAS Number:
793-24-8
Molecular Formula:
C18H24N2
Molecular Weight:
268.3966
MDL Number:
MFCD00072248
IUPAC Name:
4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
InChI:
InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3
InChI Key:
ZZMVLMVFYMGSMY-UHFFFAOYSA-N
SMILES:
CC(CC(Nc1ccc(cc1)Nc1ccccc1)C)C
EC Number:
212-344-0
UN Number:
3077
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.194g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.404g/mol
Monoisotopic Mass:
268.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study. | Environmental health perspectives 20150501 |
| Skin sensitization potency and cross-reactivity of p-phenylenediamine and its derivatives evaluated by non-radioactive murine local lymph node assay and guinea-pig maximization test. | Contact dermatitis 20090401 |
| Electrolytic treatment of wastewater containing n-phenyl-n'-1,3-dimethylbutyl-p-phenylenediamine. | Environmental technology 20080501 |
| New phenylenediamine antiozonants for commodities based on natural and synthetic rubber. | Food additives and contaminants 20051001 |
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