(S)-(-)-N-(5-Nitro-2-pyridyl)alaninol supplier

Name
(S)-(-)-N-(5-NITRO-2-PYRIDYL)ALANINOL
EINECS
CAS No. 115416-52-9
Density 1.361 g/cm³
Solubility
Melting Point 100 °C
Formula C₈H₁₁N₃O₃
Boiling Point 396.425 °C at 760 mmHg
Molecular Weight 197.19
Flash Point 193.551 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propanol,2-[(5-nitro-2-pyridinyl)amino]-, (S)-;(2S)-2-[(5-Nitropyridin-2-yl)amino]propan-1-ol;
PSA 90.97000
LogP 1.37870

(S)-(-)-N-(5-Nitro-2-pyridyl)alaninol Specification

The 1-Propanol,2-[(5-nitro-2-pyridinyl)amino]-, (2S)-, with the CAS registry number 115416-52-9, has the systematic name of (2S)-2-[(5-nitro-2-pyridyl)amino]propan-1-ol. And the molecular formula of this chemical is C₈H₁₁N₃O₃. In addition, it belongs to the following product categories: Pyridine; Functional Materials; Organic Nonlinear Optical Materials.

The physical properties of 1-Propanol,2-[(5-nitro-2-pyridinyl)amino]-, (2S)- are as following: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.362; (4)ACD/LogD (pH 7.4): 1.363; (5)ACD/BCF (pH 5.5): 6.377; (6)ACD/BCF (pH 7.4): 6.39; (7)ACD/KOC (pH 5.5): 131.011; (8)ACD/KOC (pH 7.4): 131.283; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 90.97 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 51.258 cm³; (15)Molar Volume: 144.851 cm³; (16)Polarizability: 20.32×10^-24cm³; (17)Surface Tension: 63.861 dyne/cm; (18)Density: 1.361 g/cm³; (19)Flash Point: 193.551 °C; (20)Enthalpy of Vaporization: 68.205 kJ/mol; (21)Boiling Point: 396.425 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](CO)Nc1ccc(cn1)[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C8H11N3O3/c1-6(5-12)10-8-3-2-7(4-9-8)11(13)14/h2-4,6,12H,5H2,1H3,(H,9,10)/t6-/m0/s1
(3)Std. InChIKey: IFUIXZIUISLXKT-LURJTMIESA-N

Product Name

(S)-(-)-N-(5-NITRO-2-PYRIDYL)ALANINOL

(S)-(-)-N-(5-Nitro-2-pyridyl)alaninol Specification

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