Name: Name:N2-(1-Ethylpropyl)-4,5-dimethyl-3-nitro-1,2-benzenediamine
Brand: Angene
SKU: AG003ARC
Rating: 90 (10 reviews)

N2-(1-Ethylpropyl)-4,5-dimethyl-3-nitro-1,2-benzenediamine

CAS No.:

66382-22-7

Catalog Number:

AG003ARC

Molecular Formula:

C13H21N3O2

Molecular Weight:

251.3247

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

MDL Number:

MFCD31700691

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

Complexity:

276

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.33g/mol

Monoisotopic Mass:

251.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7