CAS No.369-53-9,4-AMINOMETHYL-BENZAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	369-53-9
Name:	4-AMINOMETHYL-BENZAMIDE
Article Data:	4

Formula:	C₈H₁₀N₂O
Molecular Weight:	150.18
Synonyms:	p-Toluamide,a-amino- (7CI,8CI);4-Aminomethylbenzamide;4-(aminomethyl)benzamide;benzamide, 4-(aminomethyl)-;
Density:	1.172 g/cm³
Boiling Point:	332.7 °C at 760 mmHg
Flash Point:	155 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	69.11000
LogP:	1.64480

Total:17 Page 1 of 1 1

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Specification

The Benzamide,4-(aminomethyl)-, with the CAS registry number 369-53-9, has the systematic name of 4-(aminomethyl)benzamide. It is a kind of irritant chemical, and belongs to the product category of Amide. And the molecular formula of the chemical is C₈H₁₀N₂O.

The characteristics of Benzamide,4-(aminomethyl)- are as followings: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.27; (4)ACD/LogD (pH 7.4): -1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 43.63 cm³; (15)Molar Volume: 128.1 cm³; (16)Polarizability: 17.29×10^-24cm³; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.172 g/cm³; (19)Flash Point: 155 °C; (20)Enthalpy of Vaporization: 57.55 kJ/mol; (21)Boiling Point: 332.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000143 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CN)N
(2)InChI: InChI=1/C8H10N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H2,10,11)
(3)InChIKey: JKIHDSIADUBKPU-UHFFFAOYAN