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33786-92-4

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Basic Information
CAS No.: 33786-92-4
Name: 3',5'-diaminoacetophenone
Molecular Structure:
Molecular Structure of 33786-92-4 (3',5'-diaminoacetophenone)
Formula: C8H10N2O
Molecular Weight: 150.18
Synonyms: Acetophenone,3',5'-diamino- (8CI);3',5'-Diaminoacetophenone;
Density: 1.196 g/cm3
Boiling Point: 392.774 °C at 760 mmHg
Flash Point: 191.343 °C
PSA: 69.11000
LogP: 2.21600
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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