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13054-47-2

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Basic Information
CAS No.: 13054-47-2
Name: 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine
Molecular Structure:
Molecular Structure of 13054-47-2 (4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine)
Formula: C7H10N2O
Molecular Weight: 138.169
Synonyms: 2,1-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-;
Density: 1.206 g/cm3
Melting Point: 130-132 °C(Solv: water (7732-18-5))
Boiling Point: 316.3 °C at 760 mmHg
Flash Point: 145.1 °C
PSA: 52.05000
LogP: 1.71680
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Specification

The 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine, with the CAS registry number 13054-47-2, is also known as 2,1-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-. This chemical's molecular formula is C7H10N2O and molecular weight is 138.17. What's more, its IUPAC name and systematic name are the same which is called 4,5,6,7-Tetrahydro-2,1-benzoxazol-3-amine.

Physical properties about 4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.27 Å2; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 37.66 cm3; (9)Molar Volume: 114.5 cm3; (10)Surface Tension: 51.9 dyne/cm; (11)Density: 1.206 g/cm3; (12)Flash Point: 145.1 °C; (13)Enthalpy of Vaporization: 55.76 kJ/mol; (14)Boiling Point: 316.3 °C at 760 mmHg; (15)Vapour Pressure: 0.000415 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1oc(c2c1CCCC2)N
(2) InChI: InChI=1/C7H10N2O/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,8H2
(3) InChIKey: CRGVRAUXLNRYKJ-UHFFFAOYAZ