ChemSpider 2D Image | 1-Boc-3-(Hydroxymethyl)-1,4-diazepane | C11H22N2O3

1-Boc-3-(Hydroxymethyl)-1,4-diazepane

  • Molecular FormulaC11H22N2O3
  • Average mass230.304 Da
  • Monoisotopic mass230.163040 Da
  • ChemSpider ID24747501

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1179360-20-3 [RN]
1-Boc-3-(Hydroxymethyl)-1,4-diazepane
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(hydroxymethyl)-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(hydroxymethyl)-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxyméthyl)-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[1179360-20-3] [RN]
MFCD12755516 [MDL number]
tert-butyl 3-(hydroxymethyl)-1,4-diazepane-1-carboxylate
tert-butyl 5-(hydroxymethyl)-1,4-diazepane-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 340.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 159.4±23.7 °C
Index of Refraction: 1.474
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 62 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 217.0±3.0 cm3

Click to predict properties on the Chemicalize site


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