3-Dimethylamino-1-(3-nitrophenyl)propan-1-one supplier

Name
3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one
EINECS
CAS No. 2138-39-8
Article Data2
CAS DataBase
Density 1.172 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₂O₃
Boiling Point 313.5 °C at 760 mmHg
Molecular Weight 222.244
Flash Point 143.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-propanone, 3-(dimethylamino)-1-(3-nitrophenyl)-
PSA
LogP

3-Dimethylamino-1-(3-nitrophenyl)propan-1-one Specification

The 3-Dimethylamino-1-(3-nitrophenyl)propan-1-one, with the CAS registry number of 2138-39-8, is also known as 1-Propanone, 3-(dimethylamino)-1-(3-nitrophenyl)-. This chemical's molecular formula is C₁₁H₁₄N₂O₃ and molecular weight is 222.240460.

Physical properties about the 3-Dimethylamino-1-(3-nitrophenyl)propan-1-one are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 66.13 Å²; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 60.44 cm³; (9)Molar Volume: 189.5 cm³; (10)Surface Tension: 45.7 dyne/cm; (11)Density: 1.172 g/cm³; (12)Flash Point: 143.4 °C; (13)Enthalpy of Vaporization: 55.45 kJ/mol; (14)Boiling Point: 313.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000496 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(C(=O)CCN(C)C)ccc1
(2) InChI: InChI=1/C11H14N2O3/c1-12(2)7-6-11(14)9-4-3-5-10(8-9)13(15)16/h3-5,8H,6-7H2,1-2H3
(3) InChIKey: SJICOWGLWXIDAC-UHFFFAOYAB

Product Name

3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one

3-Dimethylamino-1-(3-nitrophenyl)propan-1-one Specification

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