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6-(1,1-Dimethylethyl) 6-azaspiro[2.5]octane-1,6-dicarboxylate

6-(1,1-Dimethylethyl) 6-azaspiro[2.5]octane-1,6-dicarboxylate structure

CAS No:
871727-05-8
Formula:
C13H21NO4
Chemical Name:
6-(1,1-Dimethylethyl) 6-azaspiro[2.5]octane-1,6-dicarboxylate
Synonyms:
6-Azaspiro[2.5]octane-1,6-dicarboxylic acid,6-(1,1-dimethylethyl) ester;6-(1,1-Dimethylethyl) 6-azaspiro[2.5]octane-1,6-dicarboxylate;6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-1-carboxylic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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6-(1,1-Dimethylethyl) 6-azaspiro[2.5]octane-1,6-dicarboxylate Basic Attributes

Molecular Weight：

255.31

Exact Mass：

255.31

DSSTox ID：

DTXSID40656404

HScode：

2933990090

Characteristics

PSA：

49.33000

XLogP3：

1.59150

Density：

1.20±0.1 g/cm3

Boiling Point：

392.1±35.0 °C(Predicted)

PKA：

4.71±0.20

Safety Information

wgk germany：

hazard class code：

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:255.31
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:255.14705815
Monoisotopic Mass:255.14705815
Topological Polar Surface Area:66.8
Heavy Atom Count:18
Complexity:364
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 6-(1,1-Dimethylethyl) 6-azaspiro[2.5]octane-1,6-dicarboxylate

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Guide of 6-(1,1-Dimethylethyl) 6-azaspiro[2.5]octane-1,6-dicarboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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