1-Propanol,3-[(3-pyridinylmethyl)amino]- supplier

Name
3-[(3-pyridylmethyl)amino]propanol
EINECS 230-124-2
CAS No. 6951-00-4
Density 1.073 g/cm³
Solubility
Melting Point
Formula C₉H₁₄N₂O
Boiling Point 320.2 °C at 760 mmHg
Molecular Weight 166.22026
Flash Point 147.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 65651;
PSA 45.15000
LogP 0.94450

1-Propanol,3-[(3-pyridinylmethyl)amino]- Specification

The 1-Propanol,3-[(3-pyridinylmethyl)amino]-, with the CAS registry number 6951-00-4, is also known as 3-[(3-Pyridylmethyl)amino]propanol. Its EINECS registry number is 230-124-2. This chemical's molecular formula is C₉H₁₄N₂O and molecular weight is 166.22026. What's more, both its IUPAC name and systematic name are the same which is called 3-[(Pyridin-3-ylmethyl)amino]propan-1-ol.

Physical properties about 1-Propanol,3-[(3-pyridinylmethyl)amino]- are: (1)ACD/LogP: -0.38; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.99; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.81; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 25.36 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 48.28 cm³; (15)Molar Volume: 154.8 cm³; (16)Polarizability: 19.14×10^-24cm³; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.073 g/cm³; (19)Flash Point: 147.5 °C; (20)Enthalpy of Vaporization: 59.32 kJ/mol; (21)Boiling Point: 320.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000134 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCCNCc1cccnc1
(2) InChI: InChI=1/C9H14N2O/c12-6-2-5-11-8-9-3-1-4-10-7-9/h1,3-4,7,11-12H,2,5-6,8H2
(3) InChIKey: DKSQDSSMOUQQRK-UHFFFAOYAG

Product Name

3-[(3-pyridylmethyl)amino]propanol

1-Propanol,3-[(3-pyridinylmethyl)amino]- Specification

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