Basic information
- CAS
89019-22-7- Standard SMILES
COC(=O)C12CCCN1N2- InChIKey
IXBSTSGUADVGCF-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.07422757
Names & identifiers
- Preferred name
- 1,6-Diazabicyclo(3.1.0)hexane-5-carboxylic acid, methyl ester
- IUPAC
- methyl 1,6-diazabicyclo[3.1.0]hexane-5-carboxylate
- English name
- 1,6-Diazabicyclo[3.1.0]hexane-5-carboxylic acid methyl ester
- Molecular formula
- C6H10N2O2
- Molecular weight
- 142.16
Names & synonyms
BRN 438732789019-22-71,6-Diazabicyclo(3.1.0)hexane-5-carboxylic acid, methyl esterRefChem:221495Methyl 1,6-diazabicyclo[3.1.0]hexane-5-carboxylateMethyl 1,6-Diazabicyclo(3.1.0)hexane-5-carboxylate111265-50-0111265-53-31,6-DIAZABICYCLO(3.1.0)HEXANE-5-CARBOXYLIC ACID-, METHYL ESTER5-Methoxycarbonyl-1,6-diazabicyclo[3.1.0]hexaneSCHEMBL15141967IXBSTSGUADVGCF-UHFFFAOYSA-N
Show more names
DTXSID4010086151,6-Diazabicyclo[3.1.0]hexane-5-carboxylic acid methyl ester1,6-Diazabicyclo[3.1.0]hexane-5-carboxylicacid,methylester,[1R-(1alpha,5alpha,6alpha)]-1,6-Diazabicyclo[3.1.0]hexane-5-carboxylicacid,methylester,[1S-(1alpha,5alpha,6alpha)]-Methyl 1,6-diazabicyclo[3.1.0]hexane-5-carboxylate #
Database identifiers
- CAS
89019-22-7- PubChem CID
- 55898
- DTXSID
DTXSID401008615- Nikkaji
- J302.236F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 46 · 46-48 °C(Press: 1 Torr)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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