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2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate structure

CAS No:
291775-59-2
Formula:
C12H19NO4
Chemical Name:
2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
Synonyms:
2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid,2-(1,1-dimethylethyl) ester,(1R,3S,4S)-;2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate;(1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate Basic Attributes

Molecular Weight：

241.28

Exact Mass：

241.28

EC Number：

625-288-0

Characteristics

PSA：

66.8

XLogP3：

1.7

Density：

1.232±0.06 g/cm3(Predicted)

Melting Point：

147-152 °C

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

61-36/37/38

safety instructions：

53-26-61

Marks：

Xi,N

Precautionary statement(s)：

P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:241.28
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:241.13140809
Monoisotopic Mass:241.13140809
Topological Polar Surface Area:66.8
Heavy Atom Count:17
Complexity:347
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

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