ChemSpider 2D Image | 1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane | C10H17N3S

1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane

  • Molecular FormulaC10H17N3S
  • Average mass211.327 Da
  • Monoisotopic mass211.114319 Da
  • ChemSpider ID25717039

More details:

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

1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane [ACD/IUPAC Name]
1-[(2-Méthyl-1,3-thiazol-4-yl)méthyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1042795-97-0 [RN]
1H-1,4-Diazepine, hexahydro-1-[(2-methyl-4-thiazolyl)methyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4530228/
MFCD11170982

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

Density: 1.1±0.1 g/cm3
Boiling Point: 317.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 146.0±25.1 °C
Index of Refraction: 1.554
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 188.6±3.0 cm3

Click to predict properties on the Chemicalize site


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