N-sec-Butyl-3,4-xylidine - CAS 56038-90-5

Name: N-sec-Butyl-3,4-xylidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB072635
Product Name:	N-sec-Butyl-3,4-xylidine
CAS:	56038-90-5
Synonyms:	3,4-Dimethyl-N-(1-methylpropyl)benzenamine; N-(1-Methylpropyl)-3,4-dimethylaniline

Technical Data

IUPAC Name:	N-butan-2-yl-3,4-dimethylaniline
Description:	N-sec-Butyl-3,4-xylidine is a useful reagent in the synthesis of dinitro herbicides via one-step dinitration with nitric acid in continuous-flow microreactor.
Molecular Weight:	177.29
Molecular Formula:	C12H19N
Canonical SMILES:	CCC(C)NC1=CC(=C(C=C1)C)C
InChI:	InChI=1S/C12H19N/c1-5-11(4)13-12-7-6-9(2)10(3)8-12/h6-8,11,13H,5H2,1-4H3
InChI Key:	UYRFXZMCMONWSK-UHFFFAOYSA-N
Solubility:	Chloroform (Sparingly), Methanol (Slightly)
Appearance:	Very Dark Brown Oil
Storage:	4°C
References:	Chen, Y., et al. Green Chem., 15, 91 (2013).

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.15174961
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.15174961
Rotatable Bond Count:	3
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4