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58349-23-8

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Basic Information
CAS No.: 58349-23-8
Name: (S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine)
Article Data: 3
Molecular Structure:
Molecular Structure of 58349-23-8 ((S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine))
Formula: C18H21 N O
Molecular Weight: 267.371
Synonyms: 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (S)- (9CI)
Density: 1.09±0.1 g/cm3(Predicted)
Boiling Point: 424.4±45.0 °C(Predicted)
PSA: 21.26000
LogP: 3.73320
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Chemistry

Molecular structure of (S)-5-Methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)-2-naphthalenamine (CAS NO.58349-23-8) is:

Product Name: (S)-5-Methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)-2-naphthalenamine
CAS Registry Number: 58349-23-8
Systematic Name: 2-naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (2S)-
Molecular Formula: C18H21NO
Molecular Weight: 267.37
Index of Refraction: 1.593 
Molar Refractivity: 82.56 cm3 
Molar Volume: 243.3 cm3
Surface Tension: 45.2 dyne/cm 
Density: 1.09 g/cm3 
Flash Point: 176.6 °C 
Enthalpy of Vaporization: 67.89 kJ/mol 
Boiling Point: 424.4 °C at 760 mmHg 
Vapour Pressure: 2.07E-07 mmHg at 25 °C 
Product Categories: APIs Intermediate
SMILES: COc1cccc2c1CC[C@@H](C2)NCc3ccccc3
InChI: InChI=1/C18H21NO/c1-20-18-9-5-8-15-12-16(10-11-17(15)18)19-13-14-6-3-2-4-7-14/h2-9,16,19H,10-13H2,1H3/t16-/m0/s1
InChIKey: OZFLGQHJVWSALN-INIZCTEOBR 
Std. InChI: InChI=1S/C18H21NO/c1-20-18-9-5-8-15-12-16(10-11-17(15)18)19-13-14-6-3-2-4-7-14/h2-9,16,19H,10-13H2,1H3/t16-/m0/s1
Std. InChIKey: OZFLGQHJVWSALN-INIZCTEOSA-N

Specification

 (S)-5-Methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)-2-naphthalenamine , its cas register number is 58349-23-8. It also can be called 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (2S)- ; 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (S)- (9CI) .