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Name |
1,3-Propanediamine,2-(2,4-dichlorophenoxy)- |
EINECS | N/A |
CAS No. | 676167-18-3 | Density | 1.32 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12Cl2N2O | Boiling Point | 377.5 °C at 760 mmHg |
Molecular Weight | 235.1104 | Flash Point | 182.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(2,4-Dichlorophenoxy)-1,3-propanediamine; |
The 1,3-Propanediamine,2-(2,4-dichlorophenoxy)-, with the CAS registry number 676167-18-3, is also known as 2-(2,4-Dichlorophenoxy)-1,3-propanediamine. This chemical's molecular formula is C9H12Cl2N2O and molecular weight is 235.1104. What's more, its systematic name is 2-(2,4-Dichlorophenoxy)propane-1,3-diamine.
Physical properties about 1,3-Propanediamine,2-(2,4-dichlorophenoxy)- are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.17; (4)#H bond acceptors: 3; (5)#H bond donors: 4; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 61.27 Å2; (8)Index of Refraction: 1.577; (9)Molar Refractivity: 59.01 cm3; (10)Molar Volume: 178 cm3; (11)Polarizability: 23.39×10-24 cm3; (12)Surface Tension: 48.8 dyne/cm; (13)Density: 1.32 g/cm3; (14)Flash Point: 182.1 °C; (15)Enthalpy of Vaporization: 62.52 kJ/mol; (16)Boiling Point: 377.5 °C at 760 mmHg; (17)Vapour Pressure: 6.73E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1Cl)Cl)OC(CN)CN
(2) InChI: InChI=1/C9H12Cl2N2O/c10-6-1-2-9(8(11)3-6)14-7(4-12)5-13/h1-3,7H,4-5,12-13H2
(3) InChIKey: LACCDOLGCZEDOU-UHFFFAOYAC