Found 3 results

Search term: RRWTWWBIHKIYTH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-6-Methyl-N-(3-methylbutyl)-2-heptanamine | C13H29N

(2S)-6-Methyl-N-(3-methylbutyl)-2-heptanamine

  • Molecular FormulaC13H29N
  • Average mass199.376 Da
  • Monoisotopic mass199.229996 Da
  • ChemSpider ID34993747

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-6-Methyl-N-(3-methylbutyl)-2-heptanamin [German] [ACD/IUPAC Name]
(2S)-6-Methyl-N-(3-methylbutyl)-2-heptanamine [ACD/IUPAC Name]
(2S)-6-Méthyl-N-(3-méthylbutyl)-2-heptanamine [French] [ACD/IUPAC Name]
2-Heptanamine, 6-methyl-N-(3-methylbutyl)-, (2S)- [ACD/Index Name]
207-947-0 [EINECS]
502-59-0 [RN]
octamylamine [INN]
UNII-S0737084O9

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

Density: 0.8±0.1 g/cm3
Boiling Point: 229.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 72.4±9.3 °C
Index of Refraction: 1.433
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 9.70
Polar Surface Area: 12 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 25.6±3.0 dyne/cm
Molar Volume: 253.1±3.0 cm3

Click to predict properties on the Chemicalize site


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