CAS
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2-[2-(Diethylamino)ethoxy]benzenecarbaldehyde
Catalog Number
ACMA00002323
Category
Ethers
Molecular Weight
221.30
Molecular Formula
C13H18O3
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Specification
Hazard Statements
H317
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula of the compound is C13H19NO2.
What are the synonyms of the compound?
The synonyms of the compound are 14573-92-3, 2-[2-(diethylamino)ethoxy]benzenecarbaldehyde, 2-[2-(diethylamino)ethoxy]benzaldehyde, and 2-(2-(Diethylamino)ethoxy)benzaldehyde.
What is the molecular weight of the compound?
The molecular weight of the compound is 221.29 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[2-(diethylamino)ethoxy]benzaldehyde.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H19NO2/c1-3-14(4-2)9-10-16-13-8-6-5-7-12(13)11-15/h5-8,11H,3-4,9-10H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is SLNFFKAUEGIFPB-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCN(CC)CCOC1=CC=CC=C1C=O.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 2.5.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 7 rotatable bond counts.
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