Basic information
- CAS
91598-91-3- Standard SMILES
CC(=O)Nc1ccc2ccc3c(O)ccc4ccc1c2c43- InChIKey
VCLWCBGOALUALI-UHFFFAOYSA-N- Molecular formula
- C18H13NO2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.09462866
Names & identifiers
- Preferred name
- Acetamide, N-(6-hydroxy-1-pyrenyl)-
- IUPAC
- N-(6-hydroxypyren-1-yl)acetamide
- English name
- Acetamide, N-(6-hydroxy-1-pyrenyl)-
- Molecular weight
- 0
Names & synonyms
1-Acetamidopyren-6-ol91598-91-3CCRIS 77361-Pyrenol, 6-acetamido-N-(6-Hydroxy-1-pyrenyl)acetamideAcetamide, N-(6-hydroxy-1-pyrenyl)-DTXSID80238642RefChem:315460DTXCID301611336-Hydroxy-N-Acetyl-1-AminopyreneN-(6-hydroxypyren-1-yl)acetamide6-hydroxy-N-acetylaminopyrene
Database identifiers
- CAS
91598-91-3- PubChem CID
- 150347
- DTXSID
DTXSID80238642- Nikkaji
- J370.213H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Chemistry & industry
Applications
Uses6-Hydroxy-N-acetyl-1-aminopyrene (OHNAAP) is a metabolite of 1-Nitropyrene (1-NP) , which is one of the most abundant nitrated polycyclic arom. hydrocarbons (NPAHs) in diesel exhaust particulate matter (DEP) and is a main contributor of direct-acting mutagenicity in DEP. 6-Hydroxy-N-acetyl-1-aminopyrene can be used as a marker to measure exposure to DEP.
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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