Home Other Building Blocks 3-Ethylaniline

3-Ethylaniline

CAS No.:
587-02-0
Catalog Number:
AG0033OX
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$23
- +
5g
98%
In Stock USA
United States
$63
- +
25g
98%
In Stock USA
United States
$132
- +
Product Description
Catalog Number:
AG0033OX
Chemical Name:
3-Ethylaniline
CAS Number:
587-02-0
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD00007818
IUPAC Name:
3-ethylaniline
InChI:
InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3
InChI Key:
AMKPQMFZCBTTAT-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)N
EC Number:
209-594-8
UNII:
W5U3OQY77O
Properties
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Protective effects of ascorbic acid against the genetic and epigenetic alterations induced by 3,5-dimethylaminophenol in AA8 cells. Journal of applied toxicology : JAT 20150501
Synthesis, anticancer activity and radiosensitizing evaluation of some new 2-pyridone derivatives. Arzneimittel-Forschung 20120301
Monocyclic aromatic amines as potential human carcinogens: old is new again. Carcinogenesis 20100101
Development of selective agonists and antagonists of P2Y receptors. Purinergic signalling 20090301
Synthesis and pharmacological investigation of novel 4-(3-ethylphenyl)-1-substituted-4H-[1,2,4]triazolo[4,3-a] quinazolin-5-ones as a new class of H1-antihistaminic agents. Acta pharmaceutica (Zagreb, Croatia) 20090301
Identification and characterization of functional rat arylamine N-acetyltransferase 3: comparisons with rat arylamine N-acetyltransferases 1 and 2. The Journal of pharmacology and experimental therapeutics 20061001
DNA adduct formation by 2,6-dimethyl-, 3,5-dimethyl-, and 3-ethylaniline in vivo in mice. Chemical research in toxicology 20060801
Alkylaniline-hemoglobin adducts and risk of non-smoking-related bladder cancer. Journal of the National Cancer Institute 20041006
Properties