4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine supplier

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

4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine 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

Product Name

4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine

4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine Specification

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