-
Name
1-Cbz-[1,4]diazepan-5-one
- EINECS
- CAS No. 18158-16-2
- Article Data2
- CAS DataBase
- Density 1.204g/cm3
- Solubility
- Melting Point 110-112 °C
- Formula C13H16 N2 O3
- Boiling Point 468.7°Cat760mmHg
- Molecular Weight 248.282
- Flash Point 237.3°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1H-1,4-Diazepine-1-carboxylicacid, hexahydro-5-oxo-, benzyl ester (8CI)
- PSA 58.64000
- LogP 1.41180
1-Cbz-[1,4]diazepan-5-one Chemical Properties
Molecular Structure of 1-Cbz-[1,4]diazepan-5-one (CAS No.18158-16-2):
Molecular Formula: C13H16N2O3
Molecular Weight: 248.2777
CAS No: 18158-16-2
Product Categories: Ring Systems
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 49.85 Å2
Index of Refraction: 1.548
Molar Refractivity: 65.54 cm3
Molar Volume: 206 cm3
Surface Tension: 47 dyne/cm
Density: 1.204 g/cm3
Flash Point: 237.3 °C
Enthalpy of Vaporization: 73.1 kJ/mol
Boiling Point: 468.7 °C at 760 mmHg
Vapour Pressure: 5.84E-09 mmHg at 25°C
InChI: InChI=1/C13H16N2O3/c16-12-6-8-15(9-7-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)
InChIKey: FWIFVWFHEUKZII-UHFFFAOYAL
Std. InChI: InChI=1S/C13H16N2O3/c16-12-6-8-15(9-7-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)
Std. InChIKey: FWIFVWFHEUKZII-UHFFFAOYSA-N
1-Cbz-[1,4]diazepan-5-one Specification
1-Cbz-[1,4]diazepan-5-one (CAS No.18158-16-2), its synonyms are 1H-1,4-diazepine-1-carboxylic acid, hexahydro-5-oxo-, phenylmethyl ester ; Benzyl 5-oxo-1,4-diazepane-1-carboxylate ; 1-Cbz-[1,4]diazepan-5-one ; 5-Oxo-[1,4]diazepane-1-carboxylic acid benzyl ester
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