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82954-65-2

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Basic Information
CAS No.: 82954-65-2
Name: (S)-(+)-(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE
Article Data: 16
Molecular Structure:
Molecular Structure of 82954-65-2 ((S)-(+)-(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE)
Formula: C6H13NO2
Molecular Weight: 131.175
Synonyms: 1-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methanamine;
Density: 0.979 g/cm3
Boiling Point: 168.8 °C at 760 mmHg
Flash Point: 57.6 °C
Hazard Symbols: Xn
Risk Codes: 22-37/38-41-43
Safety: 26-36/37/39
PSA: 44.48000
LogP: 0.79690
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Specification

The 1,3-Dioxolane-4-methanamine,2,2-dimethyl-, (4S)-, with the CAS registry number 82954-65-2, is also known as 1-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methanamine. This chemical's molecular formula is C6H13NO2 and molecular weight is 131.1729. What's more, its IUPAC name is [(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methanamine.

Physical properties about 1,3-Dioxolane-4-methanamine,2,2-dimethyl-, (4S)- are: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.2; (4)ACD/LogD (pH 7.4): -1.96; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 34.59 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 13.71×10-24 cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.979 g/cm3; (19)Flash Point: 57.6 °C; (20)Enthalpy of Vaporization: 40.53 kJ/mol; (21)Boiling Point: 168.8 °C at 760 mmHg; (22)Vapour Pressure: 1.59 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1C(OC[C@@H]1CN)(C)C
(2) InChI: InChI=1/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3/t5-/m0/s1
(3) InChIKey: HXOYWCSTHVTLOW-YFKPBYRVBS