Basic information
- CAS
149649-90-1- Standard SMILES
NOCC#Cc1ccccc1- InChIKey
ZHFXDAQXMNYCTI-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
Names & identifiers
- Preferred name
- O-(3-phenylprop-2-ynyl)hydroxylamine
- IUPAC
- O-(3-phenylprop-2-ynyl)hydroxylamine
- English name
- Hydroxylamine, O-(3-phenyl-2-propynyl)- (9CI)
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
149649-90-1O-(3-phenylprop-2-ynyl)hydroxylamineHydroxylamine, O-(3-phenyl-2-propynyl)- (9CI)SCHEMBL6200514AKOS017981475Hydroxylamine, O-(3-phenyl-2-propyn-1-yl)-
Database identifiers
- CAS
149649-90-1
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 281 · 281.0±23.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 2.9 · 2.90±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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