CAS
931-38-2 Purity
96%
931-38-2 Purity
96%
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Ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate
CAS
931400-33-8
Catalog Number
ACM931400338
Category
Other Products
Molecular Weight
293.37600
Molecular Formula
C17H24FNO2
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Specification
Synonyms
ETHYL 2-[(2-CYCLOHEXYLETHYL)AMINO]-5-FLUOROBENZOATE; Ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate;
IUPAC Name
Benzoic acid, 2-[(2-cyclohexylethyl)amino]-5-fluoro-, ethyl ester
Boiling Point
398.2±32.0 °C (760 mmHg)
Density
1.100±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
293.17900
What is the molecular formula of ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate?
The molecular formula is C17H24FNO2.
What is the molecular weight of ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate?
The molecular weight is 293.4 g/mol.
What is the IUPAC name of ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate?
The IUPAC name is ethyl 2-(2-cyclohexylethylamino)-5-fluorobenzoate.
What is the InChI of ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate?
The InChI is InChI=1S/C17H24FNO2/c1-2-21-17(20)15-12-14(18)8-9-16(15)19-11-10-13-6-4-3-5-7-13/h8-9,12-13,19H,2-7,10-11H2,1H3.
What is the InChIKey of ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate?
The InChIKey is QXIHYRHEHSBJLT-UHFFFAOYSA-N.
What is the canonical SMILES of ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate?
The canonical SMILES is CCOC(=O)C1=C(C=CC(=C1)F)NCCC2CCCCC2.
What is the XLogP3-AA value of ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate?
The XLogP3-AA value is 5.9.
How many hydrogen bond donor counts does ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate have?
It has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does ethyl 2-[(2-cyclohexylethyl)amino]-5-fluorobenzoate have?
It has 7 rotatable bond counts.
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