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 |
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: | 49.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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