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CAS No.: | 87571-88-8 |
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Name: | endo-3-Aminotropane |
Molecular Structure: | |
Formula: | C8H16N2 |
Molecular Weight: | 140.228 |
Synonyms: | (3-endo)-8-Methyl-8-azabicyclo[3.2.1]octan-3-amine; |
EINECS: | 1533716-785-6 |
Density: | 0.99 g/cm3 |
Boiling Point: | 181.6 °C at 760 mmHg |
Flash Point: | 60.8 °C |
PSA: | 29.26000 |
LogP: | 1.20850 |
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The endo-3-Aminotropane, with the CAS registry number of 87571-88-8, is also known as (3-endo)-8-Methyl-8-azabicyclo[3.2.1]octan-3-amine. This chemical's molecular formula is C8H16N2 and molecular weight is 140.22. What's more, its systematic name is called (1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-amine.
Physical properties about the endo-3-Aminotropane are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.26 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 42.16 cm3; (9)Molar Volume: 141.5 cm3; (10)Surface Tension: 33.7 dyne/cm; (11)Density: 0.99 g/cm3; (12)Flash Point: 60.8 °C; (13)Enthalpy of Vaporization: 41.79 kJ/mol; (14)Boiling Point: 181.6 °C at 760 mmHg; (15)Vapour Pressure: 0.843 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:CN1C2CCC1CC(C2)N
(2) InChI:InChI=1/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-
(3) InChIKey:HJGMRAKQWLKWMH-RNLVFQAGBC