Basic information
- CAS
61734-87-0- Standard SMILES
CC(C)(C)N(CCCCO)N=O- InChIKey
XOMJSNZFEBCQLT-UHFFFAOYSA-N- Molecular formula
- C8H18N2O2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.13682782
Names & identifiers
- Preferred name
- 1-Butanol, 4-((1,1-dimethylethyl)nitrosoamino)-
- IUPAC
- N-tert-butyl-N-(4-hydroxybutyl)nitrous amide
Names & synonyms
N-tert-Butyl-N-(4-hydroxybutyl)nitrosamine1-BUTANOL, 4-((1,1-DIMETHYLETHYL)NITROSOAMINO)-61734-87-0BRN 2244623N-tert-butyl-N-(4-hydroxybutyl)nitrous amideDTXSID90210732
Database identifiers
- CAS
61734-87-0- PubChem CID
- 43767
- DTXSID
DTXSID90210732- Nikkaji
- J985.708G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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