N-(2,2-Dimethoxyethyl)-4-methoxy-N-methyl-1,3-benzodioxole-5-methanamine - CAS 108261-02-5

Catalog:	BB067130
Product Name:	N-(2,2-Dimethoxyethyl)-4-methoxy-N-methyl-1,3-benzodioxole-5-methanamine
CAS:	108261-02-5
Synonyms:	2,2-dimethoxy-N-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methylethanamine; N-(2,2-Dimethoxyethyl)-4-methoxy-N-methyl-1,3-benzodioxole-5-methanamine; N-(2,2-Dimethoxyethyl)-N-methyl-N-(4-methoxy-1,3-benzodioxol-5-ylmethyl)amine; N-(2-methoxy-3,4-methylenedioxybenzyl)-N-methylaminoacetaldehyde dimethylacetal

Technical Data

IUPAC Name:	2,2-dimethoxy-N-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methylethanamine
Description:	N-(2,2-Dimethoxyethyl)-4-methoxy-N-methyl-1,3-benzodioxole-5-methanamine is an intermediate in the synthesis of Cotarnine Chloride (C717500), an oxidative degradation product of the drug Noscapine (N882000).
Molecular Weight:	283.32
Molecular Formula:	C14H21NO5
Canonical SMILES:	CN(CC1=C(C2=C(C=C1)OCO2)OC)CC(OC)OC
InChI:	InChI=1S/C14H21NO5/c1-15(8-12(16-2)17-3)7-10-5-6-11-14(13(10)18-4)20-9-19-11/h5-6,12H,7-9H2,1-4H3
InChI Key:	ULZLPEAVQIMJFQ-UHFFFAOYSA-N
References:	Shirasaka, T., et al. J. Org. Chem., 55, 3767 (1990).

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.14197277
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.14197277
Rotatable Bond Count:	7
Topological Polar Surface Area:	49.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4