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tert-butyl N-ethyl-N-(prop-2-yn-1-yl)carbamate

HCID 18366151
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C#CCN(CC)C(=O)OC(C)(C)C
InChIKey
FXDJVQDREJHDMD-UHFFFAOYSA-N
Molecular formula
C10H17NO2
Average molar mass
183.25 g/mol

Names & identifiers

Preferred name
tert-butyl N-ethyl-N-(prop-2-yn-1-yl)carbamate
IUPAC
tert-butyl N-ethyl-N-prop-2-ynylcarbamate

Names & synonyms

tert-butyl N-ethyl-N-(prop-2-yn-1-yl)carbamate275387-97-8N-Boc-N-ethylpropargylamineN-Boc-N-ethylpropargyl amineSCHEMBL3530471FXDJVQDREJHDMD-UHFFFAOYSA-Ntert-butyl ethylprop-2-ynylcarbamateAKOS017388577tert-butyl ethyl(prop-2-ynyl)carbamateDB-130688EN300-6271142

Database identifiers

PubChem CID
18366151

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
219

Related reactions

9 records
New reaction record
HRID 17171 reaction equation
HRID 17171As productuspto-grants-2010_06
HRID 366744 reaction equation
HRID 366744As productuspto-grants-2000_10
HRID 380906 reaction equation
HRID 380906As productuspto-grants-2001_10
HRID 832701 reaction equation
HRID 832701As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1069766 reaction equation
HRID 1069766As productuspto-grants-2001_06
HRID 1247593 reaction equation
HRID 1247593As productuspto-grants-2006_10
HRID 1247594 reaction equation
HRID 1247594As reactantuspto-grants-2006_10
HRID 1270895 reaction equation
HRID 1270895As productuspto-grants-2007_04
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Compound notes

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