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CAS No.: | 1018978-90-9 |
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Name: | (S)-6-Methoxychroman-4-amine |
Molecular Structure: | |
Formula: | C10H13NO2 |
Molecular Weight: | 179.22 |
Synonyms: | 2H-1-Benzopyran-4-amine, 3,4-dihydro-6-methoxy-; |
Density: | 1.128 g/cm3 |
Boiling Point: | 270.138 °C at 760 mmHg |
Flash Point: | 126.915 °C |
PSA: | 44.48000 |
LogP: | 2.17780 |
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The (S)-6-Methoxychroman-4-amine, with the CAS registry number 1018978-90-9, is also known as 2H-1-Benzopyran-4-amine, 3,4-dihydro-6-methoxy-, (4S)-. This chemical's molecular formula is C10H13NO2 and molecular weight is 179.22. What's more, its systematic name is (4S)-6-methoxychroman-4-amine.
Physical properties of (S)-6-Methoxychroman-4-amine are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.056; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.104; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.48 Å2; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 50.264 cm3; (14)Molar Volume: 158.879 cm3; (15)Polarizability: 19.926×10-24cm3; (16)Surface Tension: 42.07 dyne/cm; (17)Density: 1.128 g/cm3; (18)Flash Point: 126.915 °C; (19)Enthalpy of Vaporization: 50.83 kJ/mol; (20)Boiling Point: 270.138 °C at 760 mmHg V; (21)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)[C@H](CCO2)N
(2)Std. InChI: InChI=1S/C10H13NO2/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6,9H,4-5,11H2,1H3/t9-/m0/s1
(3)Std. InChIKey: APTWFKUWDZQXHL-VIFPVBQESA-N