4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol
Basic information
- CAS
63934-41-8- Standard SMILES
CC(O)CN(CCCCO)N=O- InChIKey
JDASGOBKLOSKDM-UHFFFAOYSA-N- Molecular formula
- C7H16N2O3
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.11609238
Names & identifiers
- Preferred name
- 4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol
- IUPAC
- N-(4-hydroxybutyl)-N-(2-hydroxypropyl)nitrous amide
Names & synonyms
4-(N-(2-Hydroxypropyl)-N-nitrosoamino)-1-butanol63934-41-8BRN 20827934-Hydroxybutyl-(2-hydroxypropyl)-N-nitrosamine1-BUTANOL, 4-(N-(2-HYDROXYPROPYL)-N-NITROSOAMINO)-N-(4-hydroxybutyl)-N-(2-hydroxypropyl)nitrous amideDTXSID50981158
Database identifiers
- CAS
63934-41-8- PubChem CID
- 45471
- DTXSID
DTXSID50981158- Nikkaji
- J64.676H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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