N,N-Diethyl-p-toluamide - CAS 2728-05-4

Name: N,N-Diethyl-p-toluamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB066870
Product Name:	N,N-Diethyl-p-toluamide
CAS:	2728-05-4
Synonyms:	N,N-Diethyl-p-methylbenzamide; N,N-Diethyl-4-methylbenzamide; NSC 5686; p-DEET; p-DETA; Diethyltoluamide Related Compound A

Technical Data

IUPAC Name:	N,N-diethyl-4-methylbenzamide
Description:	N,N-Diethyl-p-toluamide, is a buildig block used in the synthesis of phthalocyanines. It can also be used in preparation of new insect repellents.
Molecular Weight:	191.27
Molecular Formula:	C12H17NO
Canonical SMILES:	CCN(CC)C(=O)C1=CC=C(C=C1)C
InChI:	InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChI Key:	PUZORFQMRDHKBT-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Low-Melting Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Liang, J., et al. Nongyaoxue Xuebao, Vol. 16,P: 644-650 (2014).

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.131014166
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6