Basic information
- CAS
17463-28-4- Standard SMILES
CCCCCCCC(=O)O.CCCCN- InChIKey
SGTADWDVCKFNIU-UHFFFAOYSA-N- Molecular formula
- C8H16O2.C4H11N
- Average molar mass
- 217.35 g/mol
- Monoisotopic mass
- 217.2041791
Names & identifiers
- Preferred name
- Octanoic acid, compd. with 1-butanamine (1:1)
- IUPAC
- butan-1-amine;octanoic acid
Names & synonyms
17463-28-4DTXSID4066200RefChem:167807DTXCID7035563butan-1-amine;octanoic acidSCHEMBL1428269Octanoic acid--butan-1-amine (1/1)DB-255864Octanoic acid compd. with 1-butanamine (1:1)
Database identifiers
- CAS
17463-28-4- PubChem CID
- 167657
- DTXSID
DTXSID4066200
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 102
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Octanoic acid, compound with N-butylamine (1:1)
Octanoic acid, compd. with 1-butanamine (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctanoic acid, compd. with 1-butanamine (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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