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Home > Nitro Compounds > 3665-80-3
3665-80-3 | N-Ethyl-4-nitroaniline
CAS No: 3665-80-3 Catalog No: AG003SZY MDL No:MFCD00010647
Product Description
Catalog Number:
AG003SZY
Chemical Name:
N-Ethyl-4-nitroaniline
CAS Number:
3665-80-3
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00010647
IUPAC Name:
N-ethyl-4-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-2-9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3
InChI Key:
XBNNLAWQCMDISJ-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cc1)[N+](=O)[O-]
EC Number:
222-927-1
UNII:
HIJ38TTD80
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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