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CAS No.: | 30989-81-2 |
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Name: | 3-Amino-2-methylacrylaldehyde |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C4H7NO |
Molecular Weight: | 85.1057 |
Synonyms: | 3-AMINO-2-METHYLACROLEIN;3-AMINO-2-METHYLACRYLALDEHYDE;3-AMINO-2-METHACRYLALDEHYDE;3-Amino-2-methylprop-2-enal;3-Amino-2-methylacrylaldehyde, 3-Amino-2-methylacrolein;4-aMino-3-Methyl-2-oxobut-3-enal |
Density: | 0.956g/cm3 |
Melting Point: | 101 °C |
Boiling Point: | 278.5 °C at 760 mmHg |
Flash Point: | 122.3 °C |
Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R34:Causes burns.; |
Risk Codes: | 20/21/22-34 |
Safety: | 26-36/37/39 |
Transport Information: | UN 2923 |
PSA: | 43.09000 |
LogP: | 0.74810 |
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The 3-Amino-2-methylacrylaldehyde, with CAS registry number 30989-81-2, belongs to the following product categories: (1)Aliphatics; (2)Amines. It has the systematic name of (2E)-3-amino-2-methylprop-2-enal. Besides this, it is also called 2-propenal, 3-amino-2-methyl-, (2E)-. And the chemical formula of this chemical is C4H7NO.
Physical properties of 3-Amino-2-methylacrylaldehyde: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.43; (8)ACD/KOC (pH 7.4): 18.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 24.2 cm3; (15)Molar Volume: 88.9 cm3; (16)Polarizability: 9.59×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 0.956 g/cm3; (19)Flash Point: 122.3 °C; (20)Enthalpy of Vaporization: 51.72 kJ/mol; (21)Boiling Point: 278.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00424 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-Amino-2-methylacrylaldehyde is harmful by inhalation, in contact with skin and if swallowed. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C(=C\N)C
(2)InChI: InChI=1/C4H7NO/c1-4(2-5)3-6/h2-3H,5H2,1H3/b4-2+
(3)InChIKey: OEZAAXHZEMTBOV-DUXPYHPUBM
(4)Std. InChI: InChI=1S/C4H7NO/c1-4(2-5)3-6/h2-3H,5H2,1H3/b4-2+
(5)Std. InChIKey: OEZAAXHZEMTBOV-DUXPYHPUSA-N