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6-tert-Butylquinoline

6-tert-Butylquinoline structure

CAS No:
68141-13-9
Formula:
C13H15N
Chemical Name:
6-tert-Butylquinoline
Synonyms:
Quinoline,6-(1,1-dimethylethyl)-;6-(1,1-Dimethylethyl)quinoline;6-tert-Butylquinoline
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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6-tert-Butylquinoline Basic Attributes

Molecular Weight：

185.26

Exact Mass：

185.26

EC Number：

268-835-5

DSSTox ID：

DTXSID9071187

HScode：

2933499090

Characteristics

PSA：

12.9

XLogP3：

3.53230

Density：

1.01

Boiling Point：

85 °C @ Press: 0.05 Torr

Flash Point：

116.3ºC

Refractive Index：

1.5820-1.5860

Safety Information

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-tert-Butylquinoline Use and Manufacturing

Manufacturing Info：

Quinoline, 6-(1,1-dimethylethyl)-: INACTIVE

Computed Properties

Molecular Weight:185.26
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:185.120449483
Monoisotopic Mass:185.120449483
Topological Polar Surface Area:12.9
Heavy Atom Count:14
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes