Basic information
- CAS
33524-04-8- Standard SMILES
Br.O=C(CCCN1CCCC1)c1nccs1- InChIKey
AGIBHPSMWBYTEB-UHFFFAOYSA-N- Molecular formula
- C11H17BrN2OS
- Average molar mass
- 305.24 g/mol
- Monoisotopic mass
- 304.0245
Names & identifiers
- Preferred name
- 4-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)
- IUPAC
- 4-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-1-one;hydrobromide
Names & synonyms
33524-04-8DTXSID409551464-(Pyrrolidin-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)RefChem:1070191DTXCID8013831484-(Pyrrolidin-1-yl)-1-(thiazol-2-yl)butan-1-one hydrobromide(Thiazolyl-2)(3-N-pyrrolidinopropyl)ketone hydrobromide4-(1-Pyrrolidinyl)-1-(2-thiazolyl)-1-butanone hydrobromide1-Butanone, 4-(1-pyrrolidinyl)-1-(2-thiazolyl)-, hydrobromide
Database identifiers
- CAS
33524-04-8- PubChem CID
- 214601
- DTXSID
DTXSID40955146
Properties
Computed structural properties
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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