3-Indolizineethanamine, 5,6,7,8-tetrahydro-N,2-dimethyl-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
70403-66-6- Standard SMILES
C[NH2+]CCc1c(C)cc2n1CCCC2.O=C([O-])/C=C\C(=O)O- InChIKey
VKZJEDJCHSERPC-BTJKTKAUSA-N- Molecular formula
- C16H24N2O4
- Average molar mass
- 308.37 g/mol
- Monoisotopic mass
- 308.17360725
Names & identifiers
- Preferred name
- 3-Indolizineethanamine, 5,6,7,8-tetrahydro-N,2-dimethyl-, (Z)-2-butenedioate (1:1)
- IUPAC
- (Z)-4-hydroxy-4-oxobut-2-enoate;methyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium
Names & synonyms
3-Indolizineethanamine, 5,6,7,8-tetrahydro-N,2-dimethyl-, (Z)-2-butenedioate (1:1)70403-66-6RefChem:10680495,6,7,8-Tetrahydro-N,2-dimethyl-3-indolizineethanamine (Z)-2-butenedioate
Database identifiers
- CAS
70403-66-6- PubChem CID
- 6435120
Properties
Computed structural properties
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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