Basic information
- CAS
412311-36-5- Standard SMILES
BrCC1CCCN1- InChIKey
KMIDALMOELWSMC-UHFFFAOYSA-N- Molecular formula
- C5H10BrN
- Average molar mass
- 164.04 g/mol
- Monoisotopic mass
- 162.99966
Names & identifiers
- Preferred name
- 2-(Bromomethyl)pyrrolidine
- IUPAC
- 2-(bromomethyl)pyrrolidine
- English name
- Pyrrolidine, 2-(bromomethyl)-
- Molecular formula
- C5H10BrN
- Molecular weight
- 164.04
Names & synonyms
2-(Bromomethyl)pyrrolidine412311-36-5DTXSID30647487RefChem:253384DTXCID80598238Pyrrolidine, 2-(bromomethyl)-2-(Bromomethyl)-pyrrolidineBCA36834AKOS015907585DB-070154EN300-196620
Database identifiers
- CAS
412311-36-5- PubChem CID
- 24820331
- DTXSID
DTXSID30647487- Nikkaji
- J2.705.600H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Physicochemical properties
- Boiling point
- 187 ℃ · 187℃
- Density
- 1.378 · 1.378
- Flash point
- 67 ℃ · 67℃
- storage temp.
- 2 · 2-8°C
- pka
- 9.76 · 9.76±0.10(Predicted)
Chemistry & industry
Suppliers6 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
杭州东帆化学有限公司86-0571-85151182
江阴安博生物医药有限公司086-010-62176588 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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