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

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

CAS No:
136247-07-9
Formula:
C18H21NO
Chemical Name:
5-methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)- 2-Naphthalenamine (Rotigotine)
Synonyms:
1,2,3,4-Tetrahydro-5-methoxy-N-(phenylmethyl)-2-naphthalenamine;N-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;SCHEMBL338733;CHEMBL1197043;SCHEMBL15474018;DTXSID10483986;AKOS015910559;247T079;5-methoxy-1,2,3,4-tetrahydro-n-(phenylmethyl)-2-naphthalenamine;N-Benzyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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

Molecular Weight：

267.37

Exact Mass：

267.162323

DSSTox ID：

DTXSID10483986

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

Vapor Pressure：

2.07E-07mmHg at 25°C

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
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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

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