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61224-32-6

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Basic Information
CAS No.: 61224-32-6
Name: 4-Aminobenzylalcohol
Article Data: 3
Molecular Structure:
Molecular Structure of 61224-32-6 (4-Aminobenzylalcohol)
Formula: C7H9NO
Molecular Weight: 123.155
Synonyms: 4-Aminobenzylalcohol;1-(Phenylamino)methanol;
Density: 1.157 g/cm3
Melting Point: 75
Boiling Point: 271.09 °C at 760 mmHg
Flash Point: 155.833 °C
PSA: 46.25000
LogP: 1.34230
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Specification

The IUPAC name of N-Hydroxymethylaniline is (2-Aminophenyl)methanol. With the CAS registry number 61224-32-6, it is also named as 4-Aminobenzylalcohol. In addition, its molecular formula is C7H9NO and its molecular weight is 123.15. 

The other characteristics of N-Hydroxymethylaniline can be summarized as: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37; (8)ACD/KOC (pH 7.4): 37; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 37.397 cm3; (15)Molar Volume: 106.396 cm3; (16)Polarizability: 14.825×10-24cm3; (17)Surface Tension: 49.982 dyne/cm; (18)Density: 1.157 g/cm3; (19)Flash Point: 155.833 °C; (20)Enthalpy of Vaporization: 53.802 kJ/mol; (21)Boiling Point: 271.09 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OCNc1ccccc1
(2)InChI:InChI=1/C7H9NO/c9-6-8-7-4-2-1-3-5-7/h1-5,8-9H,6H2
(3)InChIKey:MGPPKMAAEPNXLS-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C7H9NO/c9-6-8-7-4-2-1-3-5-7/h1-5,8-9H,6H2
(5)Std. InChIKey:MGPPKMAAEPNXLS-UHFFFAOYSA-N