CAS
97009-38-6 Purity
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97009-38-6 Purity
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Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate
CAS
97021-17-5
Catalog Number
ACM97021175
Category
Other Products
Molecular Weight
306.357 g/mol
Molecular Formula
C16H22N2O4
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Specification
Synonyms
GB-409, CID57156, LS-20420, N-Acetyl-N-(1-(dimethylcarbamoyl)ethyl)anthranilic acid ethyl ester, ANTHRANILIC ACID, N-ACETYL-N-(1-(DIMETHYLCARBAMOYL)ETHYL)-, ETHYL ESTER, 97021-17-5
IUPAC Name
ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate
Canonical SMILES
CCOC(=O)C1=CC=CC=C1N(C(C)C(=O)N(C)C)C(=O)C
InChI Key
QAFKBRQHJNQJEE-UHFFFAOYSA-N
Boiling Point
467.9ºC at 760 mmHg
Flash Point
236.8ºC
Density
1.15g/cm³
Exact Mass
306.15800
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The molecular formula is C16H22N2O4.
What is the PubChem CID of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The PubChem CID is 57156.
What is the molecular weight of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The molecular weight is 306.36 g/mol.
What is the IUPAC name of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The IUPAC name is ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate.
What is the InChI of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The InChI is InChI=1S/C16H22N2O4/c1-6-22-16(21)13-9-7-8-10-14(13)18(12(3)19)11(2)15(20)17(4)5/h7-11H,6H2,1-5H3.
What is the InChIKey of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The InChIKey is QAFKBRQHJNQJEE-UHFFFAOYSA-N.
What is the canonical SMILES of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The canonical SMILES is CCOC(=O)C1=CC=CC=C1N(C(C)C(=O)N(C)C)C(=O)C.
What is the CAS number of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The CAS number is 97021-17-5.
What is the XLogP3-AA value of Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate?
The XLogP3-AA value is 1.4.
Is Ethyl 2-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate considered as a canonicalized compound?
Yes, it is considered as a canonicalized compound.
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