CAS No.13436-87-8,N-(Hydroxymethyl)salicylamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13436-87-8
Name:	N-(Hydroxymethyl)salicylamide
Article Data:	4

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	Salicylamide,N-(hydroxymethyl)- (7CI,8CI);N-(Hydroxymethyl)salicylamide;N-Methylolsalicylamide;NSC 30181;
Density:	1.329g/cm³
Boiling Point:	408.6°Cat760mmHg
Flash Point:	200.9°C
PSA:	69.56000
LogP:	0.46270

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Specification

The N-(Hydroxymethyl)salicylamide with the cas number 13436-87-8 is also called Benzamide,2-hydroxy-N-(hydroxymethyl)-. Both the systematic name and IUPAC name are 2-hydroxy-N-(hydroxymethyl)benzamide. Its molecular formula is C₈H₉NO₃. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.2; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 39.52; (8)ACD/KOC (pH 7.4): 34.29; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 43.29 cm³; (15)Molar Volume: 125.7 cm³; (16)Polarizability: 17.16×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Enthalpy of Vaporization: 69.66 kJ/mol; (19)Vapour Pressure: 2.08×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1O)NCO
(2)InChI: InChI=1/C8H9NO3/c10-5-9-8(12)6-3-1-2-4-7(6)11/h1-4,10-11H,5H2,(H,9,12)
(3)InChIKey: LJZYAHCUAUNANB-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	850mg/kg (850mg/kg)		Therapie. Vol. 7, Pg. 27, 1952.