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CAS No.: | 146471-52-5 |
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Name: | 4-(aminomethyl)chroman-4-ol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H13NO2 |
Molecular Weight: | 179.22 |
Synonyms: | 4-(Aminomethyl)-2,3-dihydrochromen-4-ol;4-(Aminomethyl)-3,4-dihydro-2H-chromen-4-ol; |
EINECS: | 604-604-1 |
Density: | 1.215 g/cm3 |
Boiling Point: | 343.4 °C at 760 mmHg |
Flash Point: | 161.5 °C |
PSA: | 55.48000 |
LogP: | 1.31570 |
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The CAS registry number of 2H-1-Benzopyran-4-ol, 4-(aminomethyl)-3,4-dihydro- is 146471-52-5. The IUPAC name is 4-(aminomethyl)-2,3-dihydrochromen-4-ol. In addition, the molecular formula is C10H13NO2 and the molecular weight is 179.22. What's more, it should be stored in a airtight, cool and dry place.
Physical properties about 2H-1-Benzopyran-4-ol, 4-(aminomethyl)-3,4-dihydro- are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.48 Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 49.75 cm3; (13)Molar Volume: 147.4 cm3; (14)Polarizability: 19.72 ×10-24cm3; (15)Surface Tension: 55.5 dyne/cm; (16)Density: 1.215 g/cm3; (17)Flash Point: 161.5 °C; (18)Enthalpy of Vaporization: 61.98 kJ/mol; (19)Boiling Point: 343.4 °C at 760 mmHg; (20)Vapour Pressure: 2.7E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCC2(O)CCOc1ccccc12
(2)InChI: InChI=1/C10H13NO2/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2
(3)InChIKey: LJIMCZDPGHYLKP-UHFFFAOYAP