4,4-Diaminodiphenyl carbonate supplier

Name
bis(4-aminophenyl) carbonate
EINECS
CAS No. 19363-39-4
Density 1.33g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂N₂O₃
Boiling Point 443.9 °C at 760 mmHg
Molecular Weight 244.246
Flash Point 230.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bis(4-aminophenyl) carbonate;Phenol, 4-amino-, carbonate (2:1) (ester);CARBONIC ACID, BIS(p-AMINOPHENYL) ESTER;
PSA
LogP

4,4-Diaminodiphenyl carbonate Specification

The 4,4-Diaminodiphenyl carbonate, with CAS registry number 19363-39-4, has the systematic name of bis(4-aminophenyl) carbonate. Besides this, it is also called Carbonic acid, bis(p-aminophenyl) ester. And the chemical formula of this chemical is C₁₃H₁₂N₂O₃.

Physical properties of 4,4-Diaminodiphenyl carbonate: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.66; (8)ACD/KOC (pH 7.4): 27.25; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 42.01 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 67.68 cm³; (15)Molar Volume: 183.5 cm³; (16)Polarizability: 26.83×10^-24cm³; (17)Surface Tension: 60.9 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 230.8 °C; (20)Enthalpy of Vaporization: 70.17 kJ/mol; (21)Boiling Point: 443.9 °C at 760 mmHg; (22)Vapour Pressure: 4.46E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)N)Oc2ccc(N)cc2
(2)InChI: InChI=1/C13H12N2O3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,14-15H2
(3)InChIKey: JBBBDGJYVDMMMN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H12N2O3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H,14-15H2
(5)Std. InChIKey: JBBBDGJYVDMMMN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	217mg/kg (217mg/kg)		National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

Product Name

bis(4-aminophenyl) carbonate

4,4-Diaminodiphenyl carbonate Specification

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