ChemSpider 2D Image | (2S)-2-Amino-4-(N'-methylcarbamimidamido)butanoic acid | C6H14N4O2

(2S)-2-Amino-4-(N'-methylcarbamimidamido)butanoic acid

  • Molecular FormulaC6H14N4O2
  • Average mass174.201 Da
  • Monoisotopic mass174.111679 Da
  • ChemSpider ID23257305

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-(N'-methylcarbamimidamido)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(N'-methylcarbamimidamido)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-(N'-méthylcarbamimidamido)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[[imino(methylamino)methyl]amino]-, (2S)- [ACD/Index Name]
186308-99-6 [RN]
2-Amino-4-(N'-methyl-guanidino)-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL364952/
n??-methyl-nor-l-arginine
N|O-Methyl L-Norarginine
Nω-Methyl L-Norarginine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 382.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 185.2±30.7 °C
Index of Refraction: 1.576
Molar Refractivity: 41.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -4.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 125.8±7.0 cm3

Click to predict properties on the Chemicalize site


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