CAS No.67467-83-8,Amorolfine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67467-83-8
Name:	Amorolfine

Formula:	C₂₁H₃₅NO
Molecular Weight:	317.51
Synonyms:	Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-;(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine;(2S,6R)-4-{3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl}-2,6-dimethylmorpholine;cis-4-[3-[4-(1,1-Dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine;(±)-cis-2,6-Dimethyl-4-(2-methyl-3-(p-tert-pentylphenyl)propyl)morpholine;
EINECS:	1312995-182-4
Density:	0.924 g/cm³
Boiling Point:	407.1 °C at 760 mmHg
Flash Point:	119.6 °C
Solubility:	Freely soluble in methanol
Appearance:	white crystalline powder
PSA:	12.47000
LogP:	4.59990

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Specification

The Amorolfin, with the CAS registry number 67467-83-8, is also known as cis-4-[3-[4-(1,1-Dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine. This chemical's molecular formula is C₂₁H₃₅NO and formula weight is 317.51. What's more, its IUPAC name is (2S,6R)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine. Its classification codes are: (1)Anti-Infective Agents; (2)Antifungal agents.

Physical properties of Amorolfin are: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 5.32; (5)ACD/BCF (pH 5.5): 117.31; (6)ACD/BCF (pH 7.4): 5208.07; (7)ACD/KOC (pH 5.5): 274.96; (8)ACD/KOC (pH 7.4): 12206.53; (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: 1.488; (14)Molar Refractivity: 99.09 cm³; (15)Molar Volume: 343.4 cm³; (16)Surface Tension: 30.9 dyne/cm; (17)Density: 0.924 g/cm³; (18)Flash Point: 119.6 °C; (19)Enthalpy of Vaporization: 65.89 kJ/mol; (20)Boiling Point: 407.1 °C at 760 mmHg; (21)Vapour Pressure: 7.75E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C
(2)Isomeric SMILES: CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C
(3)InChI: InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7, 12-15H2,1-6H3/t16?,17-,18+
(4)InChIKey: MQHLMHIZUIDKOO-AYHJJNSGSA-N