N-Hydroxymethylaniline supplier

Name
4-Aminobenzylalcohol
EINECS
CAS No. 61224-32-6
Article Data3
CAS DataBase
Density 1.157 g/cm³
Solubility
Melting Point 75
Formula C₇H₉NO
Boiling Point 271.09 °C at 760 mmHg
Molecular Weight 123.155
Flash Point 155.833 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Aminobenzylalcohol;1-(Phenylamino)methanol;
PSA 46.25000
LogP 1.34230

N-Hydroxymethylaniline 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

Product Name

4-Aminobenzylalcohol

N-Hydroxymethylaniline Specification

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