Basic information
- CAS
146018-90-8- Standard SMILES
CCCCCCCCC(=O)OC1CC2CCC(C1)N2C- InChIKey
MBJFPEAKHWYASN-UHFFFAOYSA-N- Molecular formula
- C17H31NO2
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.23547923
Names & identifiers
- Preferred name
- Tropine nonanoate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) nonanoate
- English name
- Tropine nonanoate
- Molecular formula
- C17H31NO2
- Molecular weight
- 281.43
Names & synonyms
Tropine nonanoate146018-90-8(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) nonanoate8-Methyl-8-azabicyclo[3.2.1]octan-3-yl nonanoateorb1991024DTXSID70932748AKOS040735795T125833Nonanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-endo-Nonanoic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl esterNonanoic acid,8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo- (9CI)
Database identifiers
- CAS
146018-90-8- PubChem CID
- 177828
- DTXSID
DTXSID70932748
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 353.1 · 353.1±35.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 10.04 · 10.04±0.40(Predicted)
Chemistry & industry
Suppliers5 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
上海抚生实业有限公司021-52961053 13524666654 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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