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CAS No.: | 517918-82-0 |
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Name: | CHEMBRDG-BB 4102967 |
Molecular Structure: | |
Formula: | C10H13N3O |
Molecular Weight: | 191.23 |
Synonyms: | CHEMBRDG-BB 4102967;1-(3-Aminophenyl)-3-methylimidazolidin-2-one(SALTDATA: FREE); |
Density: | 1.243 g/cm3 |
Boiling Point: | 357.8 °C at 760 mmHg |
Flash Point: | 170.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 49.57000 |
LogP: | 1.72470 |
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The CAS register number of 1-(3-Aminophenyl)-3-methylimidazolidin-2-one is 517918-82-0. The molecular formula about this chemical is C10H13N3O and the molecular weight is 191.23.
Physical properties about 1-(3-Aminophenyl)-3-methylimidazolidin-2-one are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): 0.22; (3)ACD/LogD (pH 7.4): 0.25; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 49.57 Å2; (8)Index of Refraction: 1.626; (9)Molar Refractivity: 54.48 cm3; (10)Molar Volume: 153.7 cm3; (11)Polarizability: 21.6x10-24cm3; (12)Surface Tension: 55.7 dyne/cm; (13)Density: 1.243 g/cm3; (14)Flash Point: 170.2 °C; (15)Enthalpy of Vaporization: 60.32 kJ/mol; (16)Boiling Point: 357.8 °C at 760 mmHg; (17)Vapour Pressure: 2.66E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN2CCN(c1cc(N)ccc1)C2=O
(2)Std. InChI: InChI=1S/C10H13N3O/c1-12-5-6-13(10(12)14)9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3
(3)Std. InChIKey: BKKKYVAWUMMSGU-UHFFFAOYSA-N