2-((3-Aminopropyl)butylamino)ethanol
Basic information
- CAS
90853-15-9- Standard SMILES
CC(CCCN)CCNCCO- InChIKey
BPTIUFAAIYHPCD-UHFFFAOYSA-N- Molecular formula
- C9H22N2O
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.17321333
Names & identifiers
- Preferred name
- 2-((3-Aminopropyl)butylamino)ethanol
- IUPAC
- 2-[(6-amino-3-methylhexyl)amino]ethanol
Names & synonyms
90853-15-92-((3-AMINOPROPYL)BUTYLAMINO)ETHANOL2-[(6-Amino-3-methylhexyl)amino]ethan-1-olDTXSID40920117
Database identifiers
- CAS
90853-15-9- PubChem CID
- 56137
- DTXSID
DTXSID40920117
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 88.6
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Compound notes
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