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 |
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: | 15.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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