Diethyl 6-aminoazulene-1,3-dicarboxylate
Basic information
- CAS
13148-46-4- Standard SMILES
CCOC(=O)c1cc(C(=O)OCC)c2ccc(N)ccc1-2- InChIKey
SWWKTHAAJLVXEN-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.11575802
Names & identifiers
- Preferred name
- Diethyl 6-aminoazulene-1,3-dicarboxylate
- IUPAC
- diethyl 6-aminoazulene-1,3-dicarboxylate
Names & synonyms
13148-46-4diethyl 6-aminoazulene-1,3-dicarboxylateNSC225264DTXSID70310325NSC-225264
Database identifiers
- CAS
13148-46-4- PubChem CID
- 312936
- DTXSID
DTXSID70310325- Nikkaji
- J1.915.114J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
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Related reactions
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Compound notes
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