Basic information
- CAS
918871-64-4- Standard SMILES
NCCC#Cc1ccc([N+](=O)[O-])cc1- InChIKey
MRPKROQVJZPJEM-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- 4-(4-Nitrophenyl)but-3-yn-1-amine
- IUPAC
- 4-(4-nitrophenyl)but-3-yn-1-amine
Names & synonyms
4-(4-Nitrophenyl)but-3-yn-1-amine918871-64-4SCHEMBL14085348DTXSID90580982
Database identifiers
- CAS
918871-64-4- PubChem CID
- 16005156
- DTXSID
DTXSID90580982
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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