tert-Butylamine endothall
Basic information
- Standard SMILES
CC(C)(C)N.O=C(O)C1C2CCC(O2)C1C(=O)O- InChIKey
ULXTYUWVVZQMAA-UHFFFAOYSA-N- Molecular formula
- C12H21NO5
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.14197277
Names & identifiers
- Preferred name
- tert-Butylamine endothall
- IUPAC
- 2-methylpropan-2-amine;7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Names & synonyms
tert-Butylamine endothallSCHEMBL5933886DTXSID6010205767-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid--2-methylpropan-2-amine (1/1)
Database identifiers
- PubChem CID
- 69612062
- DTXSID
DTXSID601020576
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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