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1416-03-1

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Basic Information
CAS No.: 1416-03-1
Name: Tannins, compds. with (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol
Molecular Structure:
Molecular Structure of 1416-03-1 (Tannins, compds. with (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol)
Formula: C9H13NO2
Molecular Weight: 167.21
Synonyms: 3-[(1R)-1-hydroxy-2-methylamino-ethyl]phenol;
Density: 1.159 g/cm3
Boiling Point: 341.1 °C at 760 mmHg
Flash Point: 163.4 °C
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  • Tannins, compds. with (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol

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    Tannins, compds. with (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol

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Specification

This chemical is called Tannins, compds. with (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol, and its systematic name is 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol. With the molecular formula of C9H13NO2, its molecular weight is 167.21. The CAS registry number of this chemical is 1416-03-1.

Other characteristics of the Tannins, compds. with (R)-3-hydroxy-alpha-((methylamino)methyl)benzenemethanol can be summarised as followings: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.05; (4)ACD/LogD (pH 7.4): -1.92; (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; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 47.44 cm3; (15)Molar Volume: 144.2 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.159 g/cm3; (19)Flash Point: 163.4 °C; (20)Enthalpy of Vaporization: 61.71 kJ/mol; (21)Boiling Point: 341.1 °C at 760 mmHg; (22)Vapour Pressure: 3.18E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O[C@H](c1cc(O)ccc1)CNC
2.InChI: InChI=1/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
3.InChIKey: SONNWYBIRXJNDC-VIFPVBQEBB