Basic information
- CAS
62018-89-7- Standard SMILES
O=NN(CCO)CCCCO- InChIKey
LJFPDQJQHXFUNM-UHFFFAOYSA-N- Molecular formula
- C6H14N2O3
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.10044231
Names & identifiers
- Preferred name
- 4-((2-Hydroxyethyl)nitrosoamino)-1-butanol
- IUPAC
- N-(4-hydroxybutyl)-N-(2-hydroxyethyl)nitrous amide
- English name
- N-(2-HYDROXYETHYL)-N-(4-HYDROXYBUTYLNITROSAMINE)
- Molecular formula
- C6H14N2O3
- Molecular weight
- 162.19
Names & synonyms
1-Butanol, 4-((2-hydroxyethyl)nitrosoamino)-Y4U4QBE8ZM4-((2-Hydroxyethyl)nitrosoamino)-1-butanolDTXSID40211072HYDROXYETHYL)-N-(4-HYDROXYBUTYL)NITROSAMINE, N-(2-RefChem:198524DTXCID4013356362018-89-7N-(2-Hydroxyethyl)-N-(4-hydroxybutyl)nitrosamineN-(4-hydroxybutyl)-N-(2-hydroxyethyl)nitrous amideUNII-Y4U4QBE8ZMAKOS006278176
Show more names
1-Butanol, 4-[(2-hydroxyethyl)nitrosoamino]-4-[N-(2-Hydroxyethyl)-N-nitrosoamino]-1-butanolN-(2-HYDROXYETHYL)-N-(4-HYDROXYBUTYLNITROSAMINE)
4-[(2-hydroxyethyl)(nitroso)amino]-1-butanol
Database identifiers
- CAS
62018-89-7- PubChem CID
- 43870
- DTXSID
DTXSID40211072- UNII
- Y4U4QBE8ZM
- Nikkaji
- J64.675J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.8
Physicochemical properties
- Boiling point
- 288.88 °C · 288.88°C (rough estimate)
- Density
- 1.2266 · 1.2266 (rough estimate)
- refractive index
- 1.465 · 1.4650 (estimate)
- FDA UNII
- 4 U4QBE8ZM · Y4U4QBE8ZM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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