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1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate structure

CAS No:
1256387-74-2
Formula:
C18H22BrN3O2
Chemical Name:
1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Synonyms:
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid,3-(6-bromo-1H-benzimidazol-2-yl)-,1,1-dimethylethyl ester,(1R,3S,4S)-;1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate Basic Attributes

Molecular Weight：

392.29018

Exact Mass：

392.29

EC Number：

1592732-453-0

Characteristics

PSA：

58.2

XLogP3：

3.9

Density：

1.455±0.06 g/cm3(Predicted)

Boiling Point：

554.3±30.0 °C(Predicted)

Safety Information

Precautionary statement(s)：

P260, P264, P270, P301+P312, P309+P311, P330, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P301+P312, P309+P311, P330, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:392.3
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:391.08954
Monoisotopic Mass:391.08954
Topological Polar Surface Area:58.2
Heavy Atom Count:24
Complexity:509
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

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