3'-Hydroxybutyranilide supplier

Name
N-(3-hydroxyphenyl)butanamide
EINECS
CAS No. 21556-79-6
Article Data1
CAS DataBase
Density 1.164g/cm³
Solubility
Melting Point 119 °C(Solv: benzene (71-43-2))
Formula C₁₀H₁₃NO₂
Boiling Point 391.1 °C at 760 mmHg
Molecular Weight 179.24
Flash Point 190.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(3-hydroxyphenyl)butanamide;Butanamide, N-(3-hydroxyphenyl)-;
PSA 49.33000
LogP 2.20380

3'-Hydroxybutyranilide Specification

The 3'-Hydroxybutyranilide, with CAS registry number 21556-79-6, has the systematic name of N-(3-hydroxyphenyl)butanamide. And its IUPAC name is the same one. Besides this, it is also called butanamide, N-(3-hydroxyphenyl)-. And the chemical formula of this chemical is C₁₀H₁₃NO₂.

Physical properties of 3'-Hydroxybutyranilide: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.57; (6)ACD/BCF (pH 7.4): 13.49; (7)ACD/KOC (pH 5.5): 225.01; (8)ACD/KOC (pH 7.4): 223.8; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 51.67 cm³; (15)Molar Volume: 153.9 cm³; (16)Polarizability: 20.48×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Enthalpy of Vaporization: 66.57 kJ/mol; (19)Vapour Pressure: 1.12E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(O)c1)CCC
(2)InChI: InChI=1/C10H13NO2/c1-2-4-10(13)11-8-5-3-6-9(12)7-8/h3,5-7,12H,2,4H2,1H3,(H,11,13)
(3)InChIKey: FMRBYRAQTPTELH-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H13NO2/c1-2-4-10(13)11-8-5-3-6-9(12)7-8/h3,5-7,12H,2,4H2,1H3,(H,11,13)
(5)Std. InChIKey: FMRBYRAQTPTELH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 318, 1952.
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03709,

Product Name

N-(3-hydroxyphenyl)butanamide

3'-Hydroxybutyranilide Specification

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