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65518-20-9

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Basic Information
CAS No.: 65518-20-9
Name: DL-Canaline dihydrochloride
Molecular Structure:
Molecular Structure of 65518-20-9 (DL-Canaline dihydrochloride)
Formula: C4H12Cl2N2O3
Molecular Weight: 207.0557
Synonyms: DL-Homoserine, O-amino-, dihydrochloride;O-aminohomoserine dihydrochloride;
Boiling Point: 402.1 °C at 760 mmHg
Flash Point: 197 °C
PSA: 98.57000
LogP: 1.68330
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Specification

The Homoserine, O-amino-, dihydrochloride(9Cl), with the CAS registry number 65518-20-9, has the systematic name of O-aminohomoserine dihydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H12Cl2N2O3.

The characteristics of Homoserine, O-amino-, dihydrochloride(9Cl) are as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 98.57 Å2; (10)Flash Point: 197 °C; (11)Enthalpy of Vaporization: 71.68 kJ/mol; (12)Boiling Point: 402.1 °C at 760 mmHg; (13)Vapour Pressure: 1.37E-07 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.Cl.OC(=O)C(N)CCON
(2)InChI: InChI=1/C4H10N2O3.2ClH/c5-3(4(7)8)1-2-9-6;;/h3H,1-2,5-6H2,(H,7,8);2*1H
(3)InChIKey: JKQSTQVJTPUGQN-UHFFFAOYAY