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CAS No.: | 2257-85-4 |
---|---|
Name: | 4-AMINO-N-METHYLPHTHALIMIDE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H8N2O2 |
Molecular Weight: | 176.175 |
Synonyms: | Phthalimide,3-amino-N-methyl- (6CI,7CI,8CI);3-Amino-N-methylphthalimide;4-Amino-2-methyl-1H-isoindole-1,3(2H)-dione; |
EINECS: | 1312995-182-4 |
Density: | 1.411 g/cm3 |
Melting Point: | 246-248 °C(lit.) |
Boiling Point: | 346.803 °C at 760 mmHg |
Flash Point: | 163.541 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 63.40000 |
LogP: | 1.01370 |
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The 1H-Isoindole-1,3(2H)-dione,4-amino-2-methyl-, with CAS registry number 2257-85-4, has the systematic name of 5-amino-2-methyl-1H-isoindole-1,3(2H)-dione. Besides this, it is also called 4-Amino-n-methylphthalimide. And the chemical formula of this chemical is C9H8N2O2.
Physical properties of 1H-Isoindole-1,3(2H)-dione,4-amino-2-methyl-: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 40.62 Å2; (7)Index of Refraction: 1.669; (8)Molar Refractivity: 46.58 cm3; (9)Molar Volume: 124.8 cm3; (10)Polarizability: 18.46×10-24cm3; (11)Surface Tension: 66.9 dyne/cm; (12)Density: 1.411 g/cm3; (13)Flash Point: 176.6 °C; (14)Enthalpy of Vaporization: 61.5 kJ/mol; (15)Boiling Point: 368.3 °C at 760 mmHg; (16)Vapour Pressure: 1.28E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 1H-Isoindole-1,3(2H)-dione,4-amino-2-methyl- irritates to eyes, respiratory system and skin. 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=C2c1ccc(cc1C(=O)N2C)N
(2)InChI: InChI=1/C9H8N2O2/c1-11-8(12)6-3-2-5(10)4-7(6)9(11)13/h2-4H,10H2,1H3
(3)InChIKey: KMEBUNSLFRQSEM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-11-8(12)6-3-2-5(10)4-7(6)9(11)13/h2-4H,10H2,1H3
(5)Std. InChIKey: KMEBUNSLFRQSEM-UHFFFAOYSA-N