Basic information
- CAS
530098-49-8- Standard SMILES
CCN1CCCN(CC(=O)OC)CC1- InChIKey
JDFGJEVAEAHLKY-UHFFFAOYSA-N- Molecular formula
- C10H20N2O2
- Average molar mass
- 200.28 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(4-ethyl-1,4-diazepan-1-yl)acetate
- IUPAC
- methyl 2-(4-ethyl-1,4-diazepan-1-yl)acetate
- English name
- 1H-1,4-Diazepine-1-aceticacid,4-ethylhexahydro-,methylester(9CI)
- Molecular formula
- C10H20N2O2
- Molecular weight
- 200.28
Names & synonyms
Methyl 2-(4-ethyl-1,4-diazepan-1-yl)acetate530098-49-81H-1,4-Diazepine-1-acetic acid, 4-ethylhexahydro-, methyl ester1H-1,4-Diazepine-1-aceticacid,4-ethylhexahydro-,methylester(9CI)
Database identifiers
- CAS
530098-49-8- Nikkaji
- J1.905.094G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 265.2 · 265.2±30.0 °C(Predicted)
- Density
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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