3,8-Diazabicyclo(3.2.1)octane-8-carboxylic acid, 3-methyl-, ethyl ester
Basic information
- CAS
52320-96-4- Standard SMILES
CCOC(=O)N1C2CCC1CN(C)C2- InChIKey
KBFADUFECIUFCN-UHFFFAOYSA-N- Molecular formula
- C10H18N2O2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.13682782
Names & identifiers
- Preferred name
- 3,8-Diazabicyclo(3.2.1)octane-8-carboxylic acid, 3-methyl-, ethyl ester
- IUPAC
- ethyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
- English name
- 3-Methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester
- Molecular formula
- C10H18N2O2
- Molecular weight
- 198.26
Names & synonyms
59436-69-03,8-DIAZABICYCLO(3.2.1)OCTANE-8-CARBOXYLIC ACID, 3-METHYL-, ETHYL ESTERRefChem:106621952320-96-43-Methyl-3,8-diazabicyclo(3.2.1)octane-8-carboxylic acid ethyl ester3-Methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid ethyl esterethyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylateBRN 0610415NSC152744SCHEMBL11774908DTXSID50966703KBFADUFECIUFCN-UHFFFAOYSA-N
Show more names
3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-methyl-, ethyl ester
NSC-152744DB-3154838-carbethoxy-3-methyl-3,8-diazabicyclo[3.2.1]octane
Database identifiers
- CAS
52320-96-4、59436-69-0- PubChem CID
- 43027
- DTXSID
DTXSID50966703- Nikkaji
- J68.407D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 269.6 · 269.6±33.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- pka
- 8 · 8+-.0.20(Predicted)
Related reactions
3 records
Compound notes
Loading…