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| CAS No.: | 101403-24-1 |
|---|---|
| Name: | (S)-1,2,3,4-tetrahydro-5-methoxy-N-propyl-2-Naphthalenamine(Rotigotine) |
| Molecular Structure: | |
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| Formula: | C14H21NO |
| Molecular Weight: | 219.327 |
| Synonyms: | 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-propyl-, (S)- (9CI);(-)-5-Methoxy-N-propyl-2-aminotetralin; |
| Density: | 1.014 g/cm3 |
| Boiling Point: | 346.117 °C at 760 mmHg |
| Flash Point: | 143.285 °C |
| PSA: | 21.26000 |
| LogP: | 2.94300 |
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Specification
This chemical is called (S)-1,2,3,4-Tetrahydro-5-methoxy-N-propyl-2-naphthalenamine, and its systematic name is (2S)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine. With the molecular formula of C14H21NO, its molecular weight is 219.32. The CAS registry number of this chemical is 101403-24-1, and its product category is APIs Intermediate.
Other characteristics of the (S)-1,2,3,4-Tetrahydro-5-methoxy-N-propyl-2-naphthalenamine can be summarised as followings: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.26 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 67.108 cm3; (15)Molar Volume: 216.384 cm3; (16)Polarizability: 26.604×10-24cm3; (17)Surface Tension: 38.114 dyne/cm; (18)Density: 1.014 g/cm3; (19)Flash Point: 143.285 °C; (20)Enthalpy of Vaporization: 59.026 kJ/mol; (21)Boiling Point: 346.117 °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(c1cccc2c1CC[C@H](NCCC)C2)C
2.InChI: InChI=1/C14H21NO/c1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2/h4-6,12,15H,3,7-10H2,1-2H3/t12-/m0/s1
3.InChIKey: ICJPCRXVYMMSJY-LBPRGKRZBG