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79352-72-0

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Basic Information
CAS No.: 79352-72-0
Name: 4-Amino-2-aminomethylphenol
Article Data: 1
Molecular Structure:
Molecular Structure of 79352-72-0 (4-Amino-2-aminomethylphenol)
Formula: C7H10N2O
Molecular Weight: 138.169
Synonyms: 2-Aminomethyl-4-aminophenol;4-Amino-2-(aminomethyl)phenol;
Density: 1.254g/cm3
Boiling Point: 346.5 °C at 760 mmHg
Flash Point: 163.4 °C
PSA: 72.27000
LogP: 1.71460
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Specification

The 4-Amino-2-aminomethylphenol, with CAS registry number 79352-72-0, has the systematic name of 4-amino-2-(aminomethyl)phenol. Besides this, it is also called phenol, 4-amino-2-(aminomethyl)-. Its molecular weight is 138.17. And the chemical formula of this chemical is C7H10N2O.

Physical properties of 4-Amino-2-aminomethylphenol: (1)ACD/LogP: -1.42; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 15.71 Å2; (7)Index of Refraction: 1.663; (8)Molar Refractivity: 40.82 cm3; (9)Molar Volume: 110.1 cm3; (10)Polarizability: 16.18×10-24cm3; (11)Surface Tension: 66 dyne/cm; (12)Density: 1.254 g/cm3; (13)Flash Point: 163.4 °C; (14)Enthalpy of Vaporization: 61.4 kJ/mol; (15)Boiling Point: 346.5 °C at 760 mmHg; (16)Vapour Pressure: 2.86E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1CN)N
(2)InChI: InChI=1/C7H10N2O/c8-4-5-3-6(9)1-2-7(5)10/h1-3,10H,4,8-9H2
(3)InChIKey: PZKNKZNLQYKXFV-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H10N2O/c8-4-5-3-6(9)1-2-7(5)10/h1-3,10H,4,8-9H2
(5)Std. InChIKey: PZKNKZNLQYKXFV-UHFFFAOYSA-N