Ethanone,1-(3,5-diaminophenyl)- supplier

Name
3',5'-diaminoacetophenone
EINECS
CAS No. 33786-92-4
Density 1.196 g/cm³
Solubility
Melting Point
Formula C₈H₁₀N₂O
Boiling Point 392.774 °C at 760 mmHg
Molecular Weight 150.18
Flash Point 191.343 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,3',5'-diamino- (8CI);3',5'-Diaminoacetophenone;
PSA 69.11000
LogP 2.21600

Ethanone,1-(3,5-diaminophenyl)- Specification

The Ethanone,1-(3,5-diaminophenyl)-, with the CAS registry number 33786-92-4, is also known as 3',5'-Diaminoacetophenone. It belongs to the product category of Amineprimary. This chemical's molecular formula is C₈H₁₀N₂O and molecular weight is 150.1778. What's more, its IUPAC name and systematic name are the same which is called 1-(3,5-Diaminophenyl)ethanone.

Physical properties about Ethanone,1-(3,5-diaminophenyl)-: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17; (8)ACD/KOC (pH 7.4): 18; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 69.11 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 44.753 cm³; (15)Molar Volume: 125.524 cm³; (16)Surface Tension: 56.487 dyne/cm; (17)Density: 1.196 g/cm³; (18)Flash Point: 191.343 °C; (19)Enthalpy of Vaporization: 64.257 kJ/mol; (20)Boiling Point: 392.774 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(cc(N)c1)C(C)=O
(2) InChI: InChI=1/C8H10N2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,9-10H2,1H3
(3) InChIKey: FBVMBHXYXPZOFZ-UHFFFAOYAA

Product Name

3',5'-diaminoacetophenone

Ethanone,1-(3,5-diaminophenyl)- Specification

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