1,3-Dihydroisobenzofuran-5-ylamine supplier

Name
1,3-Dihydroisobenzofuran-5-ylamine
EINECS
CAS No. 61964-08-7
Article Data5
CAS DataBase
Density 1.208g/cm³
Solubility
Melting Point 104-105 °C
Formula C₈H₉NO
Boiling Point 295.905 °C at 760 mmHg
Molecular Weight 135.166
Flash Point 156.803 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1,3-Dihydroisobenzofuran-5-yl)amine;1,3-Dihydro-5-isobenzofuranamine;5-Aminophthalan;5-Amino-1,3-dihydroisobenzofuran;
PSA 35.25000
LogP 1.88020

1,3-Dihydroisobenzofuran-5-ylamine Specification

The 1,3-Dihydroisobenzofuran-5-ylamine, with CAS registry number 61964-08-7, has the systematic name of 1,3-dihydro-2-benzofuran-5-amine. Besides this, it is also called 1,3-Dihydroisobenzofuran-5-ylamine. Its molecular weight is 135.16. And the chemical formula of this chemical is C₈H₉NO.

Physical properties of 1,3-Dihydroisobenzofuran-5-ylamine: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 40; (8)ACD/KOC (pH 7.4): 48; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.25 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 39.657 cm³; (15)Molar Volume: 111.848 cm³; (16)Polarizability: 15.721×10^-24cm³; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.208 g/cm³; (19)Flash Point: 156.803 °C; (20)Enthalpy of Vaporization: 53.565 kJ/mol; (21)Boiling Point: 295.905 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc2COCc2c1
(2)InChI: InChI=1/C8H9NO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5,9H2
(3)InChIKey: GKULNTLNUHOMGD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H9NO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5,9H2
(5)Std. InChIKey: GKULNTLNUHOMGD-UHFFFAOYSA-N

Product Name

1,3-Dihydroisobenzofuran-5-ylamine

1,3-Dihydroisobenzofuran-5-ylamine Specification

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