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(S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine)

(S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine) structure

CAS No:
58349-23-8
Formula:
C18H21NO
Chemical Name:
(S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine)
Synonyms:
(2S)-N-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;(S)-5-METHOXY-1,2,3,4-TETRAHYDRO-N-(PHENYLMETHYL)-2-NAPHTHALENAMINE;SCHEMBL339286;KS-00002B1I;6053AE;ZINC28865384;AKOS025393529;SS-3530;349M238
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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(S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine) Basic Attributes

Molecular Weight：

267.37

Exact Mass：

267.162323

HScode：

2922299090

Characteristics

PSA：

21.26000

XLogP3：

4.07

Density：

1.1±0.1 g/cm3

Boiling Point：

424.4±45.0 °C at 760 mmHg

Flash Point：

176.6±18.2 °C

Refractive Index：

1.594

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:267.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:267.162314293
Monoisotopic Mass:267.162314293
Topological Polar Surface Area:21.3
Heavy Atom Count:20
Complexity:287
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine)

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
Learn More Other Chemicals

(S)-5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine)

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