3-Phenyl-propionamide supplier

Name
3-Phenyl-propionamide
EINECS
CAS No. 102-93-2
Article Data129
CAS DataBase
Density 1.069 g/cm³
Solubility
Melting Point 99.0 to 103.0 °C
Formula C₉H₁₁NO
Boiling Point 339.851 °C at 760 mmHg
Molecular Weight 149.192
Flash Point 159.336 °C
Transport Information
Appearance White crystal Purity
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamamide(6CI,7CI,8CI);3-Phenylpropanamide;3-Phenylpropionamide;NSC 229316;b-Phenylpropionamide;
PSA 43.09000
LogP 1.80480

3-Phenyl-propionamide Specification

The 3-Phenyl-propionamide, with CAS registry number 102-93-2, has the systematic name of 3-phenylpropanamide. And its IUPAC name is the same one. Besides this, it is also called benzenepropanamide. Its system generated number is 0000102932.

Physical properties about this chemical are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.89; (6)ACD/BCF (pH 7.4): 2.89; (7)ACD/KOC (pH 5.5): 74.39; (8)ACD/KOC (pH 7.4): 74.39; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 43.99 cm³; (15)Molar Volume: 139.5 cm³; (16)Polarizability: 17.44×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Enthalpy of Vaporization: 58.33 kJ/mol; (19)Vapour Pressure: 8.94E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CCc1ccccc1
(2)InChI: InChI=1/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
(3)InChIKey: VYIBCOSBNVFEIW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
(5)Std. InChIKey: VYIBCOSBNVFEIW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	intravenous	90mg/kg (90mg/kg)		Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.

Product Name

3-Phenyl-propionamide

3-Phenyl-propionamide Specification

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