CIS-2-AMINO-4-CYCLOHEXENE-1-CARBOXAMIDE

The cis-2-Amino-4-cyclohexenecarboxamide, with the CAS registry number 111302-96-6, is also known as 3-Cyclohexene-1-carboxamide, 6-amino-, (1R,6S)-. It belongs to the product category of Amide. This chemical's molecular formula is C₇H₁₂N₂O and molecular weight is 140.18. What's more, its systematic name is (1R,6S)-6-aminocyclohex-3-ene-1-carboxamide. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of cis-2-Amino-4-cyclohexenecarboxamide are: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.04; (4)ACD/LogD (pH 7.4): -3.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 23.55 Å²; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 38.93 cm³; (13)Molar Volume: 125.7 cm³; (14)Surface Tension: 46.8 dyne/cm; (15)Density: 1.114 g/cm³; (16)Flash Point: 151.1 °C; (17)Enthalpy of Vaporization: 56.84 kJ/mol; (18)Boiling Point: 326.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000218 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H]1C/C=C\C[C@@H]1N
(2)InChI: InChI=1S/C7H12N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H2,9,10)/t5-,6+/m1/s1
(3)InChIKey: JXMUPIBGRUPBHN-RITPCOANSA-N