CAS
93343-11-4 Purity
98%
93343-11-4 Purity
98%
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1-{3-[(Diethylamino)methyl]-4-methoxyphenyl}ethanone
CAS
93344-82-2
Catalog Number
ACM93344822
Category
Other Products
Molecular Weight
236.329980 [g/mol]
Molecular Formula
C14H21NO2
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Specification
Synonyms
ZINC00289744, CID6943942, 93344-82-2
IUPAC Name
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
Canonical SMILES
CCN(CC)CC1=C(C=CC(=C1)C(=O)C)OC
InChI Key
HWQXADPWWSVKPV-UHFFFAOYSA-O
Boiling Point
340.1ºC at 760mmHg
Flash Point
159.5ºC
Density
1.003g/cm³
Exact Mass
235.15700
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula is C14H21NO2.
What is the molecular weight of the compound?
The molecular weight is 235.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethanone.
What is the InChI of the compound?
The InChI is InChI=1S/C14H21NO2/c1-5-15(6-2)10-13-9-12(11(3)16)7-8-14(13)17-4/h7-9H,5-6,10H2,1-4H3.
What is the InChIKey of the compound?
The InChIKey is HWQXADPWWSVKPV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCN(CC)CC1=C(C=CC(=C1)C(=O)C)OC.
What is the CAS number of the compound?
The CAS number is 93344-82-2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.1.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
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