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Home > Nitro Compounds > 83757-42-0
83757-42-0 | N-butyl-4-methyl-2,6-dinitroaniline
CAS No: 83757-42-0 Catalog No: AG00IV3B MDL No:MFCD05670007
Product Description
Catalog Number:
AG00IV3B
Chemical Name:
N-butyl-4-methyl-2,6-dinitroaniline
CAS Number:
83757-42-0
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
MDL Number:
MFCD05670007
IUPAC Name:
N-butyl-4-methyl-2,6-dinitroaniline
InChI:
InChI=1S/C11H15N3O4/c1-3-4-5-12-11-9(13(15)16)6-8(2)7-10(11)14(17)18/h6-7,12H,3-5H2,1-2H3
InChI Key:
KBKNKPRDTRWITD-UHFFFAOYSA-N
SMILES:
CCCCNc1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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