3-Hexanone,6-(dimethylamino)-4-phenyl-, hydrochloride (1:1) supplier

Name
6-(dimethylamino)-4-phenylhexan-3-one
EINECS
CAS No. 7512-06-3
Density 0.968 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₁NO
Boiling Point 312.9 °C at 760 mmHg
Molecular Weight 219.32
Flash Point 90.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(dimethylamino)-4-phenylhexan-3-one;4-Hexanone, 1-dimethylamino-3-phenyl-;1-Dimethylamino-3-phenyl-4-hexanone;
PSA
LogP

3-Hexanone,6-(dimethylamino)-4-phenyl-, hydrochloride (1:1) Specification

The 3-Hexanone,6-(dimethylamino)-4-phenyl-, hydrochloride (1:1), with the CAS registry number 7512-06-3, is also known as 4-Hexanone, 1-dimethylamino-3-phenyl-. This chemical's molecular formula is C₁₄H₂₁NO and molecular weight is 219.32. What's more, its systematic name is 6-(dimethylamino)-4-phenylhexan-3-one.

Physical properties of 3-Hexanone,6-(dimethylamino)-4-phenyl-, hydrochloride (1:1) are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): 0.22; (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): 4.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 67.35 cm³; (15)Molar Volume: 226.4 cm³; (16)Polarizability: 26.7×10^-24 cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.968 g/cm³; (19)Flash Point: 90.8 °C; (20)Enthalpy of Vaporization: 55.4 kJ/mol; (21)Boiling Point: 312.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000512 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(C(c1ccccc1)CCN(C)C)CC
(2)InChI: InChI=1/C14H21NO/c1-4-14(16)13(10-11-15(2)3)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3
(3)InChIKey: ZFQTWPRJPYNFEC-UHFFFAOYAA

Product Name

6-(dimethylamino)-4-phenylhexan-3-one

3-Hexanone,6-(dimethylamino)-4-phenyl-, hydrochloride (1:1) Specification

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