(S)-7,8-Difluorochroman-4-amine supplier

Name
(S)-7,8-Difluorochroman-4-amine
EINECS
CAS No. 1213161-36-4
Density 1.292 g/cm³
Solubility
Melting Point
Formula C₉H₉F₂NO
Boiling Point 225.183 °C at 760 mmHg
Molecular Weight 185.1706664
Flash Point 89.988 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H-1-Benzopyran-4-amine, 7,8-difluoro-3,4-dihydro-, (4S)-;(4S)-7,8-Difluorochroman-4-amine;
PSA 35.25000
LogP 2.44740

(S)-7,8-Difluorochroman-4-amine Specification

This chemical is called (S)-7,8-Difluorochroman-4-amine, and it can also be named as 2H-1-Benzopyran-4-amine, 7,8-difluoro-3,4-dihydro-, (4S)-. With the molecular formula of C₉H₉F₂NO, its molecular weight is 185.1706664. The CAS registry number of this chemical is 1213161-36-4, and its systematic name is (4S)-7,8-Difluorochroman-4-amine.

Other characteristics of the (S)-7,8-Difluorochroman-4-amine can be summarised as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.762; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.337; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 23.327; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.25 Å²; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 43.573 cm³; (14)Molar Volume: 143.297 cm³; (15)Polarizability: 17.274×10^-24cm³; (16)Surface Tension: 40.823 dyne/cm; (17)Density: 1.292 g/cm³; (18)Flash Point: 89.988 °C; (19)Enthalpy of Vaporization: 46.17 kJ/mol; (20)Boiling Point: 225.183 °C at 760 mmHg; (21)Vapour Pressure: 0.088 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc(c(c2c1[C@H](CCO2)N)F)F
2.InChI: InChI=1/C9H9F2NO/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2,7H,3-4,12H2/t7-/m0/s1
3.InChIKey: RWFFMOBPPRECAW-ZETCQYMHBS

Product Name

(S)-7,8-Difluorochroman-4-amine

(S)-7,8-Difluorochroman-4-amine Specification

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