N-[1-(1-Naphthalenyl)ethyl]formamide - CAS 49681-33-6

Catalog:	BB075784
Product Name:	N-[1-(1-Naphthalenyl)ethyl]formamide
CAS:	49681-33-6
Synonyms:	(±)-N-[1-(1-Naphthalenyl)ethyl]formamide

Technical Data

IUPAC Name:	N-(1-naphthalen-1-ylethyl)formamide
Description:	N-[1-(1-Naphthalenyl)ethyl]formamide is derived from 1-Acetylnaphthalene (A186940), which is used in the preparation of S(-)-1-(1'-naphthyl) ethanol, an important synthetic intermediate of mevinic acid analog;Also, it is used in the preparation of (R)-(+)-1-(1-naphthyl)ethylamine as an intermediate of cinacalcet.
Molecular Weight:	199.25
Molecular Formula:	C13H13NO
Canonical SMILES:	CC(C1=CC=CC2=CC=CC=C21)NC=O
InChI:	InChI=1S/C13H13NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3,(H,14,15)
InChI Key:	LBUNPZWRXVWADJ-UHFFFAOYSA-N
References:	Kamble, A.L. et al. J. Mol. Catal. B Enzym., 35, 1 (2005); Bhattacharyya, M. et al. Biores. Technol., 98, 1958 (2007); Xu, Y., et al. Faming Zhuanli Shenquig (2013), CN 103420845 A 20131204.

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.099714038
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.1Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7