N-Nitroso-N-pentyl-(4-hydroxybutyl)amine
Basic information
- CAS
61734-86-9- Standard SMILES
CCCCCN(CCCCO)N=O- InChIKey
LPHYEAYFPYUSAX-UHFFFAOYSA-N- Molecular formula
- C9H20N2O2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.15247789
Names & identifiers
- Preferred name
- N-Nitroso-N-pentyl-(4-hydroxybutyl)amine
- IUPAC
- N-(4-hydroxybutyl)-N-pentylnitrous amide
- English name
- 4-(Pentylnitrosoamino)-1-butanol
- Molecular formula
- C9H20N2O2
- Molecular weight
- 188.27
Names & synonyms
61734-86-9N-Amyl-N-(4-hydroxybutyl)nitrosamine1-BUTANOL, 4-(PENTYLNITROSAMINO)-4-Amyl-N-(4-hydroxybutyl)nitrosamineCCRIS 762N-Nitroso-N-pentyl-(4-hydroxybutyl)amineBRN 2247513N-Pentyl-N-(4-hydroxybutyl)nitrosamineN-(4-hydroxybutyl)-N-pentylnitrous amide4-(Pentylnitrosoamino)-1-butanolDTXSID302107314-(Nitrosopentylamino)-1-butanol
Show more names
1-Butanol, 4-(nitrosopentylamino)-
DB-315898
Database identifiers
- CAS
61734-86-9- PubChem CID
- 43766
- DTXSID
DTXSID30210731- Nikkaji
- J70.070C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 323.29 °C · 323.29°C (rough estimate)
- Density
- 1.0506 · 1.0506 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- Toxicity
- 10 mmol/plate · mma-sat 10 mmol/plate CNREA8 37,399,77
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mma-sat 10 mmol/plate CNREA8 37,399,77
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Compound notes
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