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| CAS No.: | 188198-38-1 |
|---|---|
| Name: | 2H-1-Benzopyran-4-amine,3,4-dihydro-,(4S)-(9CI) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H11NO |
| Molecular Weight: | 149.192 |
| Synonyms: | 2H-1-benzopyran-4-amine, 3,4-dihydro-, (4S)-; |
| Density: | 1.106 g/cm3 |
| Boiling Point: | 237.4 °C at 760 mmHg |
| Flash Point: | 102.1 °C |
| PSA: | 35.25000 |
| LogP: | 2.16920 |
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Specification
The (4S)-3,4-Dihydro-2H-1-benzopyran-4-amine, with the CAS registry number 188198-38-1, is also known as (S)-chroman-4-amine. It belongs to the product category of Amineprimary. This chemical's molecular formula is C9H11NO and molecular weight is 149.19. Its IUPAC name is called 3,4-dihydro-2H-chromen-4-amine.
Physical properties of (4S)-3,4-Dihydro-2H-1-benzopyran-4-amine: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.53; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 43.58 cm3; (14)Molar Volume: 134.8 cm3; (15)Surface Tension: 44.2 dyne/cm; (16)Density: 1.106 g/cm3; (17)Flash Point: 102.1 °C; (18)Enthalpy of Vaporization: 47.42 kJ/mol; (19)Boiling Point: 237.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0449 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC2=CC=CC=C2C1N
(2)InChI: InChI=1S/C9H11NO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6,10H2
(3)InChIKey: LCOFMNJNNXWKOC-UHFFFAOYSA-N