3-tert-Butylisoxazol-5-ylamine supplier

Name
3-TERT-BUTYLISOXAZOL-5-AMINE
EINECS
CAS No. 59669-59-9
Article Data14
CAS DataBase
Density 1.042g/cm³
Solubility
Melting Point 110-114℃
Formula C₇H₁₂N₂O
Boiling Point 248.1 °C at 760 mmHg
Molecular Weight 140.185
Flash Point 103.9 °C
Transport Information
Appearance
Safety 36/37-24/25
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R22:; R36/37/38:;
Synonyms 3-(1,1-Dimethylethyl)-5-isoxazolamine;3-tert-Butylisoxazol-5-amine;3-tert-Butylisoxazol-5-ylamine;5-Amino-3-tert-butylisoxazole;
PSA 52.05000
LogP 2.13550

3-tert-Butylisoxazol-5-ylamine Specification

The 5-Isoxazolamine,3-(1,1-dimethylethyl)-, with CAS registry number 59669-59-9, belongs to the following product category: Chiral Chemicals. It has the systematic name of 3-tert-butyl-1,2-oxazol-5-amine. Besides this, it is also called 3-tert-Butylisoxazol-5-ylamine. And the chemical formula of this chemical is C₇H₁₂N₂O.

Physical properties of 5-Isoxazolamine,3-(1,1-dimethylethyl)-: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.97; (6)ACD/BCF (pH 7.4): 4.97; (7)ACD/KOC (pH 5.5): 109.59; (8)ACD/KOC (pH 7.4): 109.59; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.27 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 39.26 cm³; (15)Molar Volume: 134.4 cm³; (16)Polarizability: 15.56×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.042 g/cm³; (19)Flash Point: 103.9 °C; (20)Enthalpy of Vaporization: 48.53 kJ/mol; (21)Boiling Point: 248.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0247 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1oc(N)cc1C(C)(C)C
(2)InChI: InChI=1/C7H12N2O/c1-7(2,3)5-4-6(8)10-9-5/h4H,8H2,1-3H3
(3)InChIKey: APHNQOGPYLTSFX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)10-9-5/h4H,8H2,1-3H3
(5)Std. InChIKey: APHNQOGPYLTSFX-UHFFFAOYSA-N

Product Name

3-TERT-BUTYLISOXAZOL-5-AMINE

3-tert-Butylisoxazol-5-ylamine Specification

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