N-Benzyl-N-methylazetidin-3-amine Dihydrochloride - CAS 1803604-02-5

Catalog:	BB073630
Product Name:	N-Benzyl-N-methylazetidin-3-amine Dihydrochloride
CAS:	1803604-02-5
Synonyms:	N-benzyl-N-methylazetidin-3-amine dihydrochloride; N-benzyl-N-methylazetidin-3-amine; dihydrochloride; N-benzyl-N-methylazetidin-3-aminedihydrochloride

Technical Data

IUPAC Name:	N-benzyl-N-methylazetidin-3-aminedihydrochloride
Description:	N-Benzyl-N-methylazetidin-3-amine Dihydrochloride is a salt analog of N-Benzyl-N-methylazetidin-3-amine (CAS# 1339397-77-1), which can be useful in the synthesis of diverse N-acryloyl azetidines and evaluation of their enhanced thiol reactivities.
Molecular Weight:	249.18
Molecular Formula:	C11H16N2·2HCl
Canonical SMILES:	CN(CC1=CC=CC=C1)C2CNC2.Cl.Cl
InChI:	InChI=1S/C11H16N2.2ClH/c1-13(11-7-12-8-11)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H32*1H
InChI Key:	SFKHXPYARZXBAW-UHFFFAOYSA-N
References:	Palkowitz, M. D., et al. Org. Lett., 19, 2270 (2017).

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.084704
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	248.084704
Rotatable Bond Count:	3
Topological Polar Surface Area:	15.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0