Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate
CAS No.:
1001401-60-0
M. Wt:
248.321
M. Fa:
C14H20N2O2
InChI Key:
DQUGXUOXPVSJFN-GFCCVEGCSA-N
Appearance:
Pale-yellow Liquid
Names and Identifiers of 1001401-60-0
CAS Number |
1001401-60-0 |
|---|---|
MDL Number |
MFCD22420241 |
IUPAC Name |
benzyl (5R)-5-methyl-1,4-diazepane-1-carboxylate |
InChI |
InChI=1S/C14H20N2O2/c1-12-7-9-16(10-8-15-12)14(17)18-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3/t12-/m1/s1 |
InChIKey |
DQUGXUOXPVSJFN-GFCCVEGCSA-N |
Canonical SMILES |
CC1CCN(CCN1)C(=O)OCC2=CC=CC=C2 |
Isomeric SMILES |
C[C@@H]1CCN(CCN1)C(=O)OCC2=CC=CC=C2 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1001401-60-0
Boiling Point |
373.9±35.0 °C at 760 mmHg |
|---|---|
Density |
1.1±0.1 g/cm3 |
Exact Mass |
248.152481 |
Flash Point |
179.9±25.9 °C |
Index of Refraction |
1.523 |
LogP |
2.05 |
Molecular Formula |
C14H20N2O2 |
Molecular Weight |
248.321 |
PSA |
41.57000 |
Storage condition |
under inert gas (nitrogen or Argon) at 2–8 °C |
Vapour Pressure |
0.0±0.8 mmHg at 25°C |
Safety Information of 1001401-60-0
Biological Activity of 1001401-60-0
Research on Benzyl (5R)-5-methyl-1,4-diazepane-1-carboxylate indicates potential biological activities that merit further investigation:
- Antimicrobial Properties: Preliminary studies suggest that this compound may exhibit antimicrobial effects.
- Anticancer Activity: There is ongoing research into its potential as an anticancer agent due to structural similarities with other bioactive compounds.
- Neurological
Physical sample testing spectrum (NMR) of 1001401-60-0
Cas:22777-05-5
Cas:501-53-1
