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53587-30-7

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Basic Information
CAS No.: 53587-30-7
Name: 2-(3,4-DIHYDROXYPHENYL-D3)ETHYLAMINE HCL
Molecular Structure:
Molecular Structure of 53587-30-7 (2-(3,4-DIHYDROXYPHENYL-D3)ETHYLAMINE HCL)
Formula: C8H9ClD3NO2
Molecular Weight: 193.61
Synonyms: 1, 2-Benzene-3, 4, 6-d3-diol, 5-(2-aminoethyl)-, hydrochloride (1:1);
Boiling Point: 337.7 °C at 760 mmHg
Flash Point: 158 °C
PSA: 66.48000
LogP: 2.10130
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Specification

The 2-(3, 4-Dihydroxyphenyl-d3)ethylamine HCl, with the CAS registry number 53587-30-7, is also known as 1, 2-Benzene-3, 4, 6-d3-diol, 5-(2-aminoethyl)-, hydrochloride (1:1). This chemical's molecular formula is C8H9ClD3NO2 and molecular weight is 192.66. What's more, its systematic name is 4-(2-Aminoethyl)(2H3)benzene-1, 2-diol hydrochloride (1:1).

Physical properties about 2-(3, 4-Dihydroxyphenyl-d3)ethylamine HCl are: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 21.7 Å2; (7)Flash Point: 158 °C; (8)Enthalpy of Vaporization: 60.4 kJ/mol; (9)Boiling Point: 337.7 °C at 760 mmHg; (10)Vapour Pressure: 5.27E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c([2H])c([2H])c(O)c1O)CCN.Cl
(2) InChI: InChI=1/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i1D,2D,5D;
(3) InChIKey: CTENFNNZBMHDDG-GONYBWEFEM