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CAS No.: | 76272-56-5 |
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Name: | Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H18N2 |
Molecular Weight: | 154.255 |
Synonyms: | 9-Azabicyclo[3.3.1]nonan-3-amine,9-methyl-, endo-;endo-3-Amino-9-methyl-9-azabicyclo[3.3.1]nonane;endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine;Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane; |
EINECS: | 1806241-263-5 |
Density: | 0.968 g/cm3 |
Melting Point: | 72.1oC |
Boiling Point: | 200.9 °C at 760 mmHg |
Flash Point: | 72.1 °C |
Appearance: | Pale yellow oil |
PSA: | 29.26000 |
LogP: | 1.59860 |
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The CAS register number of endo-3-Amino-9-methyl-9-azabicyclo[3.3.1]nonane is 76272-56-5. It also can be called as Endo-9-methyl-9-azabicyclo[3,3,1]nonan-3-amine and the IUPAC name about this chemical is (1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine. The molecular formula about this chemical is C9H18N2 and the molecular weight is 154.25. It belongs to the following product categories, such as Amines and Anilines; Heterocycles; (intermediate of granisetron); Amines; Chiral Reagents and so on. This chemical can be used as an intermediate for granisetron.It is a pale Yellow Oil which is granisetron impurity E. An intermediate of Granisetron.
Physical properties about endo-3-Amino-9-methyl-9-azabicyclo[3.3.1]nonane are:
(1)ACD/LogP:0.913; (2) # of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):-3.18; (4)ACD/LogD (pH 7.4):-2.75; (5)ACD/BCF (pH 5.5):1.00; (6)ACD/BCF (pH 7.4):1.00; (7)ACD/KOC (pH 5.5):1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors:2; (11)#Freely Rotating Bonds:1; (12)Index of Refraction: 1.499; (13) Molar Refractivity:46.774 cm3; (14)Molar Volume:159.315 cm3; (15)Polarizability:18.543 10-24cm3; (16)Surface Tension:32.8380012512207 dyne/cm; (17)Density:0.968 g/cm3; (18)Flash Point:72.126 °C; (19)Enthalpy of Vaporization:43.716 kJ/mol; (20)Boiling Point:200.948 °C at 760 mmHg; (21)Vapour Pressure:0.316000014543533 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N[C@H]1C[C@H]2CCC[C@@H](C1)N2C
(2)InChI: InChI=1/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3/t7-,8+,9-
(3)InChIKey: HTZWHTQVHWHSHN-AYMMMOKOBO
(4)Std. InChI: InChI=1S/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3/t7-,8+,9-
(5)Std. InChIKey: HTZWHTQVHWHSHN-AYMMMOKOSA-N