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CAS No.: | 71604-74-5 |
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Name: | m-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline |
Molecular Structure: | |
Formula: | C15H19NO4 |
Molecular Weight: | 277.32 |
Synonyms: | Oxiranemethanamine,N-[3-(oxiranylmethoxy)phenyl]-N-(oxiranylmethyl)- (9CI); |
EINECS: | 275-662-9 |
Density: | 1.306 g/cm3 |
Boiling Point: | 435.309 °C at 760 mmHg |
Flash Point: | 135.197 °C |
Solubility: | 1.78g/L at 20℃ |
PSA: | 50.06000 |
LogP: | 1.06820 |
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The 2-Oxiranemethanamine,N-[3-(2-oxiranylmethoxy)phenyl]-N-(2-oxiranylmethyl)-, with the CAS registry number 71604-74-5, is also known as m-(2,3-Epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline. Its EINECS registry number is 275-662-9. This chemical's molecular formula is C15H19NO4 and molecular weight is 277.32. What's more, its IUPAC name is called 3-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline.
Physical properties about 2-Oxiranemethanamine,N-[3-(2-oxiranylmethoxy)phenyl]-N-(2-oxiranylmethyl)- are: (1)ACD/LogP: 1.297; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.30; (5)ACD/BCF (pH 5.5): 5.61; (6)ACD/BCF (pH 7.4): 5.70; (7)ACD/KOC (pH 5.5): 119.16; (8)ACD/KOC (pH 7.4): 120.90; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 50.06 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 73.767 cm3; (15)Molar Volume: 212.344 cm3; (16)Polarizability: 29.244×10-24cm3; (17)Surface Tension: 62.587 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 135.197 °C; (20)Enthalpy of Vaporization: 69.157 kJ/mol; (21)Boiling Point: 435.309 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(ccc1)N(CC2OC2)CC3OC3)CC4OC4
(2) InChI: InChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2
(3) InChIKey: VAGOJLCWTUPBKD-UHFFFAOYSA-N