2-Pyridinamine,5-nitro-N-[(1S)-1-phenylethyl]- supplier

Name
(S)-(-)-2-(ALPHA-METHYLBENZYLAMINO)-5-NITROPYRIDINE
EINECS
CAS No. 84249-39-8
Article Data3
CAS DataBase
Density 1.267 g/cm³
Solubility
Melting Point 83 °C
Formula C₁₃H₁₃N₃O₂
Boiling Point 395.9 °C at 760 mmHg
Molecular Weight 243.265
Flash Point 193.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyridinamine,5-nitro-N-(1-phenylethyl)-, (S)-;(-)-2-(a-Methylbenzylamino)-5-nitropyridine;MBANP;5-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine;2-pyridinamine, 5-nitro-N-[(1S)-1-phenylethyl]-;
PSA 70.74000
LogP 3.75910

2-Pyridinamine,5-nitro-N-[(1S)-1-phenylethyl]- Specification

The 2-Pyridinamine,5-nitro-N-[(1S)-1-phenylethyl]-, with the CAS registry number 84249-39-8, has the systematic name of 5-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine. And the molecular formula of this chemical is C₁₃H₁₃N₃O₂. It belongs to the following product categories: Functional Materials; Organic Nonlinear Optical Materials.

The physical properties of 2-Pyridinamine,5-nitro-N-[(1S)-1-phenylethyl]- are as following: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 70.74 Å²; (9)Index of Refraction: 1.645; (10)Molar Refractivity: 69.62 cm³; (11)Molar Volume: 191.9 cm³; (12)Polarizability: 27.6×10^-24cm³; (13)Surface Tension: 56.6 dyne/cm; (14)Density: 1.267 g/cm³; (15)Flash Point: 193.2 °C; (16)Enthalpy of Vaporization: 64.61 kJ/mol; (17)Boiling Point: 395.9 °C at 760 mmHg; (18)Vapour Pressure: 1.78E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](Nc1ccc(cn1)[N+]([O-])=O)c2ccccc2
(2)InChI: InChI=1/C13H13N3O2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(9-14-13)16(17)18/h2-10H,1H3,(H,14,15)/t10-/m0/s1
(3)InChIKey: RAKMWGKBCDCUDX-JTQLQIEIBI

Product Name

(S)-(-)-2-(ALPHA-METHYLBENZYLAMINO)-5-NITROPYRIDINE

2-Pyridinamine,5-nitro-N-[(1S)-1-phenylethyl]- Specification

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