Basic information
- CAS
3554-68-5- Standard SMILES
OCCN1CCCC1CO- InChIKey
HKFUMQBPCRRDAV-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-1-pyrrolidineethanol
- IUPAC
- 2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
Names & synonyms
3554-68-52-(2-(Hydroxymethyl)pyrrolidin-1-yl)ethan-1-ol2-[2-(Hydroxymethyl)pyrrolidin-1-yl]ethan-1-ol2-(Hydroxymethyl)-1-pyrrolidineethanolSCHEMBL3428778SCHEMBL3429565SCHEMBL3429567DTXSID201282548DB-133177
Database identifiers
- CAS
3554-68-5- PubChem CID
- 14799150
- DTXSID
DTXSID201282548
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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