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Tebanicline

Tebanicline structure

CAS No:
198283-73-7
Formula:
C9H11ClN2O
Chemical Name:
Tebanicline
Synonyms:
Pyridine,5-[(2R)-2-azetidinylmethoxy]-2-chloro-;Pyridine,5-(2-azetidinylmethoxy)-2-chloro-,(R)-;5-[(2R)-2-Azetidinylmethoxy]-2-chloropyridine;ABT 594;Tebanicline;(R)-5-(Azetidin-2-ylmethoxy)-2-chloropyridine;5-[((2R)-Azetidin-2-yl)methoxy]-2-chloropyridine;Ebanicline

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Tebanicline Basic Attributes

Molecular Weight：

198.64900

Exact Mass：

198.65

UNII：

9KX8NKV538

DSSTox ID：

DTXSID90173555

Characteristics

PSA：

34.15000

XLogP3：

1.80450

Density：

1.228g/cm3

Melting Point：

116-117 °C

Boiling Point：

321.1ºC at 760 mmHg

Flash Point：

148ºC

Refractive Index：

1.545

Vapor Pressure：

0.000305mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

5-(2-azetidinylmethoxy)-2-chloropyridine

Computed Properties

Molecular Weight:198.65
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:198.0559907
Monoisotopic Mass:198.0559907
Topological Polar Surface Area:34.2
Heavy Atom Count:13
Complexity:168
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Tebanicline

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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