2-(3-Aminopropylamino)ethyl bromide
Basic information
- CAS
55159-49-4- Standard SMILES
NCCCNCCBr- InChIKey
PGVLVMINWPCNCD-UHFFFAOYSA-N- Molecular formula
- C5H13BrN2
- Average molar mass
- 181.07 g/mol
- Monoisotopic mass
- 180.02621
Names & identifiers
- Preferred name
- 2-(3-Aminopropylamino)ethyl bromide
- IUPAC
- N'-(2-bromoethyl)propane-1,3-diamine
Names & synonyms
55159-49-42-(3-aminopropylamino)ethyl bromide(3-AMINOPROPYL)(2-BROMOETHYL)AMINEN1-(2-Bromoethyl)propane-1,3-diamineN'-(2-bromoethyl)propane-1,3-diamineX5YDV2K6KKSCHEMBL9171119AKOS006273086N-(2-Bromoethyl)propane-1,3-diamineN1-(2-Bromoethyl)-1,3-propanediamine1,3-Propanediamine, N-(2-bromoethyl)-1,3-Propanediamine, N1-(2-bromoethyl)-
Show more names
EN300-7587422
Database identifiers
- CAS
55159-49-4- PubChem CID
- 419362
- UNII
- X5YDV2K6KK
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 41.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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