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38061-34-6

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Basic Information
CAS No.: 38061-34-6
Name: 2-AMINO-1-BENZO[1,3]DIOXOL-5-YL-ETHANONE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 38061-34-6 (2-AMINO-1-BENZO[1,3]DIOXOL-5-YL-ETHANONE HYDROCHLORIDE)
Formula: C9H10ClNO3
Molecular Weight: 215.63
Synonyms: 2-(1,3-Benzodioxol-5-yl)-2-oxoethanaminium chloride;
Boiling Point: 359.9 °C at 760 mmHg
Flash Point: 210.6 °C
PSA: 61.55000
LogP: 2.05900
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Specification

The Ethanone, 2-amino-1-(1,3-benzodioxol-5-yl)-, hydrochloride, with the CAS registry number 38061-34-6, is also known as 2-(1,3-Benzodioxol-5-yl)-2-oxoethanaminium chloride. This chemical's molecular formula is C9H10ClNO3 and molecular weight is 215.63. What's more, both its IUPAC name and systematic name are the same which is called 2-Amino-1-(1,3-benzodioxol-5-yl)ethanone hydrochloride.

Physical properties about Ethanone, 2-amino-1-(1,3-benzodioxol-5-yl)-, hydrochloride are: (1)ACD/LogP: 0.925; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 38.77 Å2; (7)Flash Point: 210.6 °C; (8)Enthalpy of Vaporization: 60.56 kJ/mol; (9)Boiling Point: 359.9 °C at 760 mmHg; (10)Vapour Pressure: 2.3E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(c1ccc2OCOc2c1)CN
(2) InChI: InChI=1S/C9H9NO3.ClH/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8;/h1-3H,4-5,10H2;1H
(3) InChIKey: XXHCAYKHYVJABF-UHFFFAOYSA-N