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CAS No.: | 119111-65-8 |
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Name: | 1-(Dimethylamino)cyclopropanecarboxylicacid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H11NO2 |
Molecular Weight: | 129.159 |
Synonyms: | Cyclopropanecarboxylic acid, 1-(dimethylamino)-; |
Density: | 1.16 g/cm3 |
Boiling Point: | 221 °C at 760 mmHg |
Flash Point: | 87.5 °C |
PSA: | 40.54000 |
LogP: | 0.16520 |
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The 1-(Dimethylamino)cyclopropanecarboxylic acid, with the CAS registry number 119111-65-8, is also known as Cyclopropanecarboxylic acid, 1-(dimethylamino)-. This chemical's molecular formula is C6H11NO2 and molecular weight is 129.08. What's more, its systematic name is 1-(Dimethylamino)cyclopropanecarboxylic acid.
Physical properties about 1-(Dimethylamino)cyclopropanecarboxylic acid are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 29.54 Å2; (6)Index of Refraction: 1.512; (7)Molar Refractivity: 33.31 cm3; (8)Molar Volume: 110.9 cm3; (9)Polarizability: 13.2×10-24 cm3; (10)Surface Tension: 43.8 dyne/cm; (11)Density: 1.16 g/cm3; (12)Flash Point: 87.5 °C; (13)Enthalpy of Vaporization: 50.4 kJ/mol; (14)Boiling Point: 221 °C at 760 mmHg; (15)Vapour Pressure: 0.041 mmHg at 25 °C.
Preparation of 1-(Dimethylamino)cyclopropanecarboxylic acid: this chemical is prepared by reaction of 1-Amino-cyclopropanecarboxylic acid with Formaldehyde. This reaction needs reagent H2, catalyst 10 % Pd/C and solvent H2O. The reaction time is 24 hours. The yield is about 62 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1(N(C)C)CC1
(2) InChI: InChI=1S/C6H11NO2/c1-7(2)6(3-4-6)5(8)9/h3-4H2,1-2H3,(H,8,9)
(3) InChIKey: NQAIVVRCFAMKLM-UHFFFAOYSA-N