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CAS No.: | 3295-64-5 |
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Name: | 1,2,3,4-tetrahydroacridine |
Article Data: | 105 |
Molecular Structure: | |
Formula: | C13H13N |
Molecular Weight: | 183.253 |
Synonyms: | 1,2,3,4-Tetrahydroacridine |
EINECS: | 221-964-0 |
Density: | 1.12 g/cm3 |
Melting Point: | 53-54 °C |
Boiling Point: | 334.791 °C at 760 mmHg |
Flash Point: | 145.795 °C |
PSA: | 12.89000 |
LogP: | 3.11360 |
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1,2,3,4-Tetrahydroacridine, with the CAS registry number 3295-64-5, is also named as Acridine, 1,2,3,4-tetrahydro-. Its EINECS number is 221-964-0. This chemical's molecular formula is C13H13N and molecular weight is 183.25. What's more, its systematic name is 1,2,3,4-Tetrahydroacridine.
Physical properties of 1,2,3,4-Tetrahydroacridine are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 61.32; (6)ACD/BCF (pH 7.4): 253.60; (7)ACD/KOC (pH 5.5): 437.34; (8)ACD/KOC (pH 7.4): 1808.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 58.973 cm3; (15)Molar Volume: 163.602 cm3; (16)Polarizability: 23.379×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 145.795 °C; (20)Enthalpy of Vaporization: 55.488 kJ/mol; (21)Boiling Point: 334.791 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c3c(cc2c1cccc2)CCCC3
(2)Std. InChI: InChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,9H,2,4,6,8H2
(3)Std. InChIKey: RXBYRTSOWREATF-UHFFFAOYSA-N