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66382-22-7

66382-22-7 | N2-(1-Ethylpropyl)-4,5-dimethyl-3-nitro-1,2-benzenediamine

CAS No: 66382-22-7 Catalog No: AG003ARC MDL No:

Product Description

Catalog Number:
AG003ARC
Chemical Name:
N2-(1-Ethylpropyl)-4,5-dimethyl-3-nitro-1,2-benzenediamine
CAS Number:
66382-22-7
Molecular Formula:
C13H21N3O2
Molecular Weight:
251.3247
IUPAC Name:
4,5-dimethyl-3-nitro-2-N-pentan-3-ylbenzene-1,2-diamine
InChI:
InChI=1S/C13H21N3O2/c1-5-10(6-2)15-12-11(14)7-8(3)9(4)13(12)16(17)18/h7,10,15H,5-6,14H2,1-4H3
InChI Key:
DKAAQXSIAFALQW-UHFFFAOYSA-N
SMILES:
CCC(Nc1c(N)cc(c(c1[N+](=O)[O-])C)C)CC

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.163g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.33g/mol
Monoisotopic Mass:
251.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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