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Basic Information
CAS No.: 19947-75-2
Name: 3,4-Dimethylisoxazol-5-amine
Article Data: 11
Molecular Structure:
Molecular Structure of 19947-75-2 (3,4-Dimethylisoxazol-5-amine)
Formula: C5H8N2O
Molecular Weight: 112.131
Synonyms: Isoxazole,5-amino-3,4-dimethyl- (6CI,8CI);3,4-Dimethyl-5-aminoisoxazole;3,4-Dimethyl-5-isoxazolamine;3,4-Dimethyl-5-isoxazolylamine;5-Amino-3,4-dimethylisoxazole;NSC 143787;
EINECS: 243-437-4
Density: 1.118 g/cm3
Melting Point: 118-122 °C(lit.)
Boiling Point: 246 °C at 760 mmHg
Flash Point: 102.6 °C
Appearance: White to off-white cyrstalline solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
PSA: 52.05000
LogP: 1.45480
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Chemistry

IUPAC Name: 3,4-Dimethyl-1,2-oxazol-5-amine
Synonyms of 3,4-Dimethylisoxazol-5-amine (CAS NO.19947-75-2): 5-Isoxazolamine,3,4-dimethyl- ; 5-Amino-3,4-dimethylisoxazole
CAS NO: 19947-75-2
Molecular Formula: C5H8N2O
Molecular Weight: 112.13
Molecular Structure:
EINECS: 243-437-4
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 29.27 Å2
Index of Refraction: 1.52
Molar Refractivity: 30.52 cm3
Molar Volume: 100.2 cm3
Surface Tension: 42.8 dyne/cm
Density: 1.118 g/cm3
Flash Point: 102.6 °C
Enthalpy of Vaporization: 48.31 kJ/mol
Boiling Point: 246 °C at 760 mmHg
Vapour Pressure: 0.0278 mmHg at 25°C
Melting Point: 118-122 °C(lit.)
Appearance: White to Off-White Cyrstalline Solid
SMILES: n1oc(N)c(c1C)C
InChI: InChI=1/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3
InChIKey: PYNDWPFZDQONDV-UHFFFAOYAZ
Std. InChI: InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3
Std. InChIKey: PYNDWPFZDQONDV-UHFFFAOYSA-N
Product Categories of 3,4-Dimethylisoxazol-5-amine (CAS NO.19947-75-2): Oxazole&Isoxazole;Heterocyclic Compounds;Heterocycles;Building Blocks;Heterocyclic Building Blocks;Isoxazoles

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3