Amorolfine CAS NO.78613-35-1

he Amorolfine, with the CAS registry number 78613-35-1, is also known as (+/-)-cis-2,6-Dimethyl-4-[2-methyl-3-(p-tert-pentylphenyl)propyl]morpholine. This chemical's molecular formula is C₂₁H₃₅NO and molecular weight is 317.51. What's more, its systematic name is (2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholine. Its classification code is Antimycotic. This chemical is a morpholine antifungal drug that inhibits D14 reductase and D7-D8 isomerase, which depletes ergosterol and causes ignosterol to accumulate in the fungal cytoplasmic cell membranes.

Physical properties of Amorolfine are: (1)ACD/LogP: 5.636; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 172.03; (6)ACD/BCF (pH 7.4): 6085.90; (7)ACD/KOC (pH 5.5): 421.85; (8)ACD/KOC (pH 7.4): 14923.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 99.093 cm³; (15)Molar Volume: 343.401 cm³; (16)Polarizability: 39.284×10^-24cm³; (17)Surface Tension: 30.99 dyne/cm; (18)Density: 0.925 g/cm³; (19)Flash Point: 119.612 °C; (20)Enthalpy of Vaporization: 65.89 kJ/mol; (21)Boiling Point: 407.077 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O2[C@@H](CN(CC(C)Cc1ccc(cc1)C(C)(C)CC)C[C@@H]2C)C
(2)Std. InChI: InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8

he Amorolfine, with the CAS registry number 78613-35-1, is also known as (+/-)-cis-2,6-Dimethyl-4-[2-methyl-3-(p-tert-pentylphenyl)propyl]morpholine. This chemical's molecular formula is C₂₁H₃₅NO and molecular weight is 317.51. What's more, its systematic name is (2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholine. Its classification code is Antimycotic. This chemical is a morpholine antifungal drug that inhibits D14 reductase and D7-D8 isomerase, which depletes ergosterol and causes ignosterol to accumulate in the fungal cytoplasmic cell membranes.

Physical properties of Amorolfine are: (1)ACD/LogP: 5.636; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 172.03; (6)ACD/BCF (pH 7.4): 6085.90; (7)ACD/KOC (pH 5.5): 421.85; (8)ACD/KOC (pH 7.4): 14923.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 99.093 cm³; (15)Molar Volume: 343.401 cm³; (16)Polarizability: 39.284×10^-24cm³; (17)Surface Tension: 30.99 dyne/cm; (18)Density: 0.925 g/cm³; (19)Flash Point: 119.612 °C; (20)Enthalpy of Vaporization: 65.89 kJ/mol; (21)Boiling Point: 407.077 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O2[C@@H](CN(CC(C)Cc1ccc(cc1)C(C)(C)CC)C[C@@H]2C)C
(2)Std. InChI: InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8