1H-Imidazole-1-propanoic acid, 2-heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-, methyl ester
Basic information
- CAS
68630-93-3- Standard SMILES
CCCCCCCC1N(CCOCCC(=O)OC)C=CN1CCC(=O)OC- InChIKey
QRPOISBXIZMALK-UHFFFAOYSA-N- Molecular formula
- C20H36N2O5
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.26242225
Names & identifiers
- Preferred name
- 1H-Imidazole-1-propanoic acid, 2-heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-, methyl ester
- IUPAC
- methyl 3-[2-heptyl-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-2H-imidazol-1-yl]propanoate
- English name
- methyl 2-heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-1H-imidazole-1-propionate
- Molecular formula
- C20H36N2O5
- Molecular weight
- 384.51024
Names & synonyms
EINECS 271-926-2DTXSID408874731-(Carboxyethoxyethyl)-3-carboxymethyl-2-heptylimidazoline dimethyl esterDimethyl 1-carboxyethoxyethyl-3-carboxymethyl-2-heptylimidazoline1H-Imidazole-1-propanoic acid, 2-heptyl-2,3-dihydro-3-(2-(3-methoxy-3-oxopropoxy)ethyl)-, methyl ester1H-Imidazole-1-propanoic acid, 2-heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-, methyl esterRefChem:438383DTXCID10102676768630-93-3Methyl 2-heptyl-2,3-dihydro-3-(2-(3-methoxy-3-oxopropoxy)ethyl)-1H-imidazole-1-propionateQRPOISBXIZMALK-UHFFFAOYSA-NNS00063600
Show more names
methyl 2-heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-1H-imidazole-1-propionate2-Heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-1H-imidazole-1-propanoic acid methyl ester
Methyl 3-{2-heptyl-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-2,3-dihydro-1H-imidazol-1-yl}propanoate
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-(Carboxyethoxyethyl)-3-carboxymethyl-2-heptylimidazoline dimethyl ester (68630-93-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazole-1-propanoic acid, 2-heptyl-2,3-dihydro-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-, methyl ester: INACTIVE
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Related reactions
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Compound notes
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