Basic information
- CAS
1220016-52-3- Standard SMILES
Cl.Fc1cccc(F)c1COCC1CCNC1- InChIKey
PKUKCKKPIYQRCC-UHFFFAOYSA-N- Molecular formula
- C12H16ClF2NO
- Average molar mass
- 263.71 g/mol
- Monoisotopic mass
- 263.0888482
Names & identifiers
- Preferred name
- 3-(((2,6-Difluorobenzyl)oxy)methyl)pyrrolidine hydrochloride
- IUPAC
- 3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine;hydrochloride
- English name
- 3-{[(2,6-Difluorobenzyl)oxy]methyl}pyrrolidinehydrochloride
- Molecular formula
- C12H16ClF2NO
- Molecular weight
- 263.71
Names & synonyms
1220016-52-33-(((2,6-Difluorobenzyl)oxy)methyl)pyrrolidine hydrochloride3-{[(2,6-Difluorobenzyl)oxy]methyl}pyrrolidine hydrochloride3-{[(2,6-Difluorobenzyl)oxy]methyl}pyrrolidinehydrochloride3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine;hydrochloride3-(((2,6-Difluorobenzyl)oxy)methyl)pyrrolidinehydrochlorideAKOS015849160
Database identifiers
- CAS
1220016-52-3- PubChem CID
- 56830541
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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