2,5-Bis(pyrrolidin-1-ylmethyl)benzene-1,4-diol
Basic information
- CAS
5435-22-3- Standard SMILES
Oc1cc(CN2CCCC2)c(O)cc1CN1CCCC1- InChIKey
BIFNUSXEHXXGNB-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- 2,5-Bis(pyrrolidin-1-ylmethyl)benzene-1,4-diol
- IUPAC
- 2,5-bis(pyrrolidin-1-ylmethyl)benzene-1,4-diol
- English name
- 2,5-bis(pyrrolidin-1-ylmethyl)benzene-1,4-diol
- Molecular formula
- C16H24N2O2
- Molecular weight
- 276.37
Names & synonyms
5435-22-32,5-bis(pyrrolidin-1-ylmethyl)benzene-1,4-diolNSC20239SCHEMBL29021851DTXSID40281139NSC-20239NSC130844NSC-1308442,5-Bis[(pyrrolidin-1-yl)methyl]benzene-1,4-diol1,4-Benzenediol, 2,5-bis(1-pyrrolidinylmethyl)-
Database identifiers
- CAS
5435-22-3- PubChem CID
- 227984
- DTXSID
DTXSID40281139
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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