CAS No.94319-79-6,N-(2-AMINOETHYL)-4-CHLOROBENZAMIDE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	94319-79-6
Name:	N-(2-AMINOETHYL)-4-CHLOROBENZAMIDE HYDROCHLORIDE
Article Data:	4

Formula:	C₉H₁₂Cl₂N₂O
Molecular Weight:	235.113
Synonyms:	Benzamide,N-(2-aminoethyl)-4-chloro-, monohydrochloride (9CI);N-(2-Aminoethyl)-4-chlorobenzamide hydrochloride;N-(2-Aminoethyl)(4-chlorophenyl)carboxamide, chloride;
Melting Point:	209-210 °C
Boiling Point:	404.2 °C at 760 mmHg
Flash Point:	198.2 °C
Solubility:	Water soluble
Appearance:	White Solid
PSA:	55.12000
LogP:	2.92170

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Specification

The Benzamide,N-(2-aminoethyl)-4-chloro-, hydrochloride (1:1), with the CAS registry number 94319-79-6, is also known as N-(2-Aminoethyl)(4-chlorophenyl)carboxamide, chloride. It belongs to the product categories of Heterocyclic Compounds; Inhibitors; Neurochemicals. This chemical's molecular formula is C₉H₁₂Cl₂N₂O and molecular weight is 235.11. What's more, its systematic name is N-(2-Aminoethyl)-4-chlorobenzamide hydrochloride.

Physical properties of Benzamide,N-(2-aminoethyl)-4-chloro-, hydrochloride (1:1) are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.34; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 23.55 Å²; (11)Flash Point: 198.2 °C; (12)Enthalpy of Vaporization: 66.83 kJ/mol; (13)Boiling Point: 404.2 °C at 760 mmHg; (14)Vapour Pressure: 6.31E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-benzoyl chloride and ethane-1,2-diamine. This reaction will need solvent methanol. The yield is about 75%.

Benzamide,N-(2-aminoethyl)-4-chloro-, hydrochloride (1:1) can be prepared by 4-chloro-benzoyl chloride and ethane-1,2-diamine

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)NCCN)Cl.Cl
(2)InChI: InChI=1S/C9H11ClN2O.ClH/c10-8-3-1-7(2-4-8)9(13)12-6-5-11;/h1-4H,5-6,11H2,(H,12,13);1H
(3)InChIKey: ARUMZUNJBHSOQQ-UHFFFAOYSA-N