tert-butyl N-[3-(1-hydroxyprop-2-yn-1-yl)cyclopentyl]carbamate
Basic information
- CAS
2274857-05-3- Standard SMILES
C#CC(O)C1CCC(NC(=O)OC(C)(C)C)C1- InChIKey
LFWRNSBVLVFNGJ-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- tert-butyl N-[3-(1-hydroxyprop-2-yn-1-yl)cyclopentyl]carbamate
- IUPAC
- tert-butyl N-[3-(1-hydroxyprop-2-ynyl)cyclopentyl]carbamate
Names & synonyms
2274857-05-3tert-butyl N-[3-(1-hydroxyprop-2-yn-1-yl)cyclopentyl]carbamate
Database identifiers
- CAS
2274857-05-3- PubChem CID
- 178201007
- EC Number
- 174-645-2
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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