CAS
940-31-8 Purity
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940-31-8 Purity
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1,4-Benzodioxin-6-methanamine,2,3-dihydro-N-(2-methoxyethyl)-
CAS
940364-46-5
Catalog Number
ACM940364465
Category
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What is the molecular formula of 1,4-Benzodioxin-6-methanamine,2,3-dihydro-N-(2-methoxyethyl)?
The molecular formula is C12H17NO3.
When was the compound created and modified?
It was created on November 13, 2007, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine.
What is the InChI representation of the compound?
The InChI is InChI=1S/C12H17NO3/c1-14-5-4-13-9-10-2-3-11-12(8-10)16-7-6-15-11/h2-3,8,13H,4-7,9H2,1H3.
What is the InChIKey of the compound?
The InChIKey is LUZUIIMOGLYQFR-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is COCCNCC1=CC2=C(C=C1)OCCO2.
What is the molecular weight of the compound?
The molecular weight is 223.27 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 39.7 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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