ChemSpider 2D Image | N4-{[(3S)-1-cyclopropanecarbonylpyrrolidin-3-yl]methyl}pyridine-3,4-diamine | C14H20N4O

N4-{[(3S)-1-cyclopropanecarbonylpyrrolidin-3-yl]methyl}pyridine-3,4-diamine

  • Molecular FormulaC14H20N4O
  • Average mass260.335 Da
  • Monoisotopic mass260.163696 Da
  • ChemSpider ID29394281

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-3-{[(3-Amino-4-pyridinyl)amino]methyl}-1-pyrrolidinyl](cyclopropyl)methanon [German] [ACD/IUPAC Name]
[(3S)-3-{[(3-Amino-4-pyridinyl)amino]methyl}-1-pyrrolidinyl](cyclopropyl)methanone [ACD/IUPAC Name]
[(3S)-3-{[(3-Amino-4-pyridinyl)amino]méthyl}-1-pyrrolidinyl](cyclopropyl)méthanone [French] [ACD/IUPAC Name]
1309806-17-4 [RN]
Methanone, [(3S)-3-[[(3-amino-4-pyridinyl)amino]methyl]-1-pyrrolidinyl]cyclopropyl- [ACD/Index Name]
N4-{[(3S)-1-cyclopropanecarbonylpyrrolidin-3-yl]methyl}pyridine-3,4-diamine
(S)-(3-(((3-Aminopyridin-4-yl)amino)methyl)pyrrolidin-1-yl)(cyclopropyl)methanone
(S)-(3-((3-aminopyridin-4-ylamino)methyl)pyrrolidin-1-yl)(cyclopropyl)methanone
(S)-(3-((3-Aminopyridin-4-ylamino)methyl)-pyrrolidin-1-yl)(cyclopropyl)methanone
MFCD23726654

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±25.9 °C
Index of Refraction: 1.666
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.09
Polar Surface Area: 71 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 200.7±3.0 cm3

Click to predict properties on the Chemicalize site


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