3-Methyl-tetrahydro-pyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)O)N1C(=O)OC(C)(C)C- InChIKey
KQTLJDHNBVEIGM-UHFFFAOYSA-N- Molecular formula
- C16H28N2O6
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-tetrahydro-pyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester
- IUPAC
- 3-methyl-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]diazinane-3-carboxylic acid
Names & synonyms
KQTLJDHNBVEIGM-UHFFFAOYSA-N1,2-bis(tert-butoxycarbonyl)-3-methyl-hexahydropyridazine-3-carboxylic acid3-methyl-tetrahydro-pyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester1509910-22-8
Database identifiers
- PubChem CID
- 86706136
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Related reactions
2 records
Compound notes
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