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CAS No.: | 7512-07-4 |
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Name: | (4E)-4-(hydroxyimino)-N,N-dimethyl-3-phenylhexan-1-amine |
Molecular Structure: | |
Formula: | C14H22N2O |
Molecular Weight: | 234.34 |
Synonyms: | (4E)-4-(hydroxyimino)-N,N-dimethyl-3-phenylhexan-1-amine; |
Density: | 0.978 g/cm3 |
Boiling Point: | 370.224 °C at 760 mmHg |
Flash Point: | 177.705 °C |
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The 3-Hexanone,6-(dimethylamino)-4-phenyl-, oxime,hydrochloride (1:1) has the CAS registry number 7512-07-4. This chemical's molecular formula is C14H22N2O and molecular weight is 234.34. What's more, its systematic name is (4E)-4-(hydroxyimino)-N,N-dimethyl-3-phenylhexan-1-amine.
Physical properties of 3-Hexanone,6-(dimethylamino)-4-phenyl-, oxime,hydrochloride (1:1) are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 13; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 35.83 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 71.824 cm3; (15)Molar Volume: 239.67 cm3; (16)Polarizability: 28.473×10-24 cm3; (17)Surface Tension: 33.614 dyne/cm; (18)Density: 0.978 g/cm3; (19)Flash Point: 177.705 °C; (20)Enthalpy of Vaporization: 65.103 kJ/mol; (21)Boiling Point: 370.224 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O\N=C(\C(c1ccccc1)CCN(C)C)CC
(2)InChI: InChI=1/C14H22N2O/c1-4-14(15-17)13(10-11-16(2)3)12-8-6-5-7-9-12/h5-9,13,17H,4,10-11H2,1-3H3/b15-14+
(3)InChIKey: JBTAVSPKQRQYEC-CCEZHUSRBN