2-Butyn-1-amine, 4-(4-nitrophenoxy)-
Basic information
- CAS
746603-41-8- Standard SMILES
NCC#CCOc1ccc([N+](=O)[O-])cc1- InChIKey
GWUBSYGGKBLUIJ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.06914219
Names & identifiers
- Preferred name
- 2-Butyn-1-amine, 4-(4-nitrophenoxy)-
- IUPAC
- 4-(4-nitrophenoxy)but-2-yn-1-amine
Names & synonyms
746603-41-82-Butyn-1-amine, 4-(4-nitrophenoxy)-DTXSID90437184RefChem:258102DTXCID103880084-(4-nitrophenoxy)but-2-yn-1-amineSCHEMBL17188575
Database identifiers
- CAS
746603-41-8- PubChem CID
- 10242079
- DTXSID
DTXSID90437184- Nikkaji
- J1.961.457C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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