Basic information
- CAS
153859-79-1- Standard SMILES
CCCCN(C[C@H](CO)OCc1ccccc1)N=O- InChIKey
XYWVCWLMHPTNBV-CQSZACIVSA-N- Molecular formula
- C14H22N2O3
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.16304257
Names & identifiers
- Preferred name
- (R)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine
- IUPAC
- N-butyl-N-[(2R)-3-hydroxy-2-phenylmethoxypropyl]nitrous amide
- English name
- N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine
- Molecular formula
- C14H22N2O3
- Molecular weight
- 266.34
Names & synonyms
153859-79-1(R)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamineCCRIS 7393N-butyl-N-[(2R)-3-hydroxy-2-phenylmethoxypropyl]nitrous amide1-Propanol, 3-(butylnitrosoamino)-2-(phenylmethoxy)-, (R)- (9CI)
Database identifiers
- CAS
153859-79-1- PubChem CID
- 154672
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 450.9 · 450.9±40.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 14.12 · 14.12±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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