4-Pyridinamine, N-[(4-chlorophenyl)methyl]- supplier

Name
(4-CHLORO-BENZYL)-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE
EINECS 236-098-9
CAS No. 13159-80-3
Density 1.251 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁ClN₂
Boiling Point 360.4 °C at 760 mmHg
Molecular Weight 218.686
Flash Point 171.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-Chloro-benzyl)-pyridin-4-yl-amine dihydrochloride;
PSA 24.92000
LogP 5.02410

4-Pyridinamine, N-[(4-chlorophenyl)methyl]- Specification

The 4-Pyridinamine, N-[(4-chlorophenyl)methyl]-, with the CAS registry number 13159-80-3, is also known as (4-Chloro-benzyl)-pyridin-4-yl-amine dihydrochloride. Its EINECS registry number is 236-098-9. This chemical's molecular formula is C₁₂H₁₁ClN₂and molecular weight is 218.6821. What's more, its IUPAC name is N-[(4-Chlorophenyl)methyl]pyridin-4-amine.

Physical properties about 4-Pyridinamine, N-[(4-chlorophenyl)methyl]- are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.61; (7)ACD/KOC (pH 5.5): 2.64; (8)ACD/KOC (pH 7.4): 88.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 63.33 cm³; (15)Molar Volume: 174.7 cm³; (16)Polarizability: 25.1×10^-24 cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 171.8 °C; (20)Enthalpy of Vaporization: 60.61 kJ/mol; (21)Boiling Point: 360.4 °C at 760 mmHg; (22)Vapour Pressure: 2.22E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)CNc2ccncc2
(2) InChI: InChI=1/C12H11ClN2/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1-8H,9H2,(H,14,15)
(3) InChIKey: HIALJOTZJYQLCG-UHFFFAOYAO

Product Name

(4-CHLORO-BENZYL)-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE

4-Pyridinamine, N-[(4-chlorophenyl)methyl]- Specification

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