ChemSpider 2D Image | 1-Carbamimidoyl-3-[(2S)-2,3-dihydroxypropyl]urea | C5H12N4O3

1-Carbamimidoyl-3-[(2S)-2,3-dihydroxypropyl]urea

  • Molecular FormulaC5H12N4O3
  • Average mass176.174 Da
  • Monoisotopic mass176.090942 Da
  • ChemSpider ID23329216

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Carbamimidoyl-3-[(2S)-2,3-dihydroxypropyl]harnstoff [German] [ACD/IUPAC Name]
1-Carbamimidoyl-3-[(2S)-2,3-dihydroxypropyl]urea [ACD/IUPAC Name]
1-Carbamimidoyl-3-[(2S)-2,3-dihydroxypropyl]urée [French] [ACD/IUPAC Name]
Urea, N-(aminoiminomethyl)-N'-[(2S)-2,3-dihydroxypropyl]- [ACD/Index Name]
1-(diaminomethylidene)-3-[(2S)-2,3-dihydroxypropyl]urea
1061735-23-6 [RN]
2-[(2S)-2,3-dihydroxypropyl]carbamoylguanidine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472311/

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 38.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 75.8±7.0 dyne/cm
Molar Volume: 107.8±7.0 cm3

Click to predict properties on the Chemicalize site


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