4-[(Tetrahydro-2H-pyran-2-yl)oxy]-1,2-butanediamine
Basic information
- CAS
101857-39-0- Standard SMILES
NCC(N)CCOC1CCCCO1- InChIKey
YBPNPPDIITXICL-UHFFFAOYSA-N- Molecular formula
- C9H20N2O2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.15247789
Names & identifiers
- Preferred name
- 4-[(Tetrahydro-2H-pyran-2-yl)oxy]-1,2-butanediamine
- IUPAC
- 4-(oxan-2-yloxy)butane-1,2-diamine
Names & synonyms
4-[(Tetrahydro-2H-pyran-2-yl)oxy]-1,2-butanediamineDTXSID801225906101857-39-04-[(Oxan-2-yl)oxy]butane-1,2-diamine
Database identifiers
- CAS
101857-39-0- PubChem CID
- 12985261
- DTXSID
DTXSID801225906
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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