Basic information
- CAS
1219964-50-7- Standard SMILES
Brc1ccc(COCC2CCNC2)cc1.Cl- InChIKey
CDHGZCUTYTXCNI-UHFFFAOYSA-N- Molecular formula
- C12H17BrClNO
- Average molar mass
- 306.62 g/mol
- Monoisotopic mass
- 305.0182
Names & identifiers
- Preferred name
- 3-{[(4-Bromobenzyl)oxy]methyl}pyrrolidine hydrochloride
- IUPAC
- 3-[(4-bromophenyl)methoxymethyl]pyrrolidine;hydrochloride
- English name
- 3-{[(4-Bromobenzyl)oxy]methyl}pyrrolidinehydrochloride
- Molecular formula
- C12H17BrClNO
- Molecular weight
- 306.63
Names & synonyms
1219964-50-73-(((4-Bromobenzyl)oxy)methyl)pyrrolidine hydrochloride3-{[(4-Bromobenzyl)oxy]methyl}pyrrolidine hydrochloride3-{[(4-Bromobenzyl)oxy]methyl}pyrrolidinehydrochloride3-[(4-bromophenyl)methoxymethyl]pyrrolidine;hydrochloride3-(((4-Bromobenzyl)oxy)methyl)pyrrolidinehydrochlorideAKOS0158439363-[(4-bromophenyl)methoxymethyl]pyrrolidine
Database identifiers
- CAS
1219964-50-7- PubChem CID
- 56830517
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 180
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
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…