Basic information
- CAS
2600868-29-7- Standard SMILES
CC(C)(C)OC(=O)NCC#Cc1ccc(O)cc1- InChIKey
QEDKVURSXQEROL-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- tert-butyl N-[3-(4-hydroxyphenyl)prop-2-yn-1-yl]carbamate
- IUPAC
- tert-butyl N-[3-(4-hydroxyphenyl)prop-2-ynyl]carbamate
Names & synonyms
2600868-29-7tert-butyl N-[3-(4-hydroxyphenyl)prop-2-yn-1-yl]carbamatetert-butyl N-(3-(4-hydroxyphenyl)prop-2-yn-1-yl)carbamateRefChem:895833881-727-8tert-Butyl (3-(4-hydroxyphenyl)prop-2-yn-1-yl)carbamateQEDKVURSXQEROL-UHFFFAOYSA-NEN300-6917826
Database identifiers
- CAS
2600868-29-7- PubChem CID
- 165992140
- EC Number
- 881-727-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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