Basic information
- CAS
31719-16-1- Standard SMILES
CC(C)CNCCCCNCC(C)C- InChIKey
FUYYBRYQDMGVRX-UHFFFAOYSA-N- Molecular formula
- C12H28N2
- Average molar mass
- 200.36 g/mol
- Monoisotopic mass
- 200.2252489
Names & identifiers
- Preferred name
- 1,4-Butanediamine, N,N'-diisobutyl-
- IUPAC
- N,N'-bis(2-methylpropyl)butane-1,4-diamine
Names & synonyms
31719-16-11,4-BUTANEDIAMINE, N,N'-DIISOBUTYL-RefChem:1053218DiisobutylputrescineN,N'-Diisobutyl-1,4-butanediamineBRN 1742848SCHEMBL9624660DTXSID00953663N~1~,N~4~-Bis(2-methylpropyl)butane-1,4-diamine
Database identifiers
- CAS
31719-16-1- PubChem CID
- 35877
- DTXSID
DTXSID00953663- Nikkaji
- J802.204F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 96.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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