CAS
931414-11-8 Purity
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931414-11-8 Purity
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Ethyl 4-[2-(butylamino)propanoylamino]benzoate
CAS
93142-90-6
Catalog Number
ACM93142906
Category
Other Products
Molecular Weight
292.373 g/mol
Molecular Formula
C16H24N2O3
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Specification
Synonyms
SA-6, p-(2-(Butylamino)propionamido)benzoic acid ethyl ester, BRN 2221401, BENZOIC ACID, p-(2-(BUTYLAMINO)PROPIONAMIDO)-, ETHYL ESTER, 93142-90-6, AC1L1LA3, ethyl 4-[(N-butylalanyl)amino]benzoate, LS-36332, ethyl 4-[2-(butylamino)propanoylamino]benzoate
IUPAC Name
ethyl 4-[2-(butylamino)propanoylamino]benzoate
Canonical SMILES
CCCCNC(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC
InChI Key
FRPALAJMOMSFOK-UHFFFAOYSA-N
Boiling Point
457.4ºC at 760 mmHg
Flash Point
230.4ºC
Density
1.088g/cm³
Exact Mass
292.17900
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula is C16H24N2O3.
What is the synonym for the compound?
One of the synonyms for the compound is "p-(2-(Butylamino)propionamido)benzoic acid ethyl ester."
What is the computed IUPAC name of the compound?
The computed IUPAC name is "ethyl 4-[2-(butylamino)propanoylamino]benzoate."
What is the InChI of the compound?
The InChI of the compound is "InChI=1S/C16H24N2O3/c1-4-6-11-17-12(3)15(19)18-14-9-7-13(8-10-14)16(20)21-5-2/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,19)."
What is the InChIKey of the compound?
The InChIKey of the compound is "FRPALAJMOMSFOK-UHFFFAOYSA-N."
What is the molecular weight of the compound?
The molecular weight is 292.37 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
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