Basic information
- CAS
67953-04-2- Standard SMILES
CCCC(C)CCC(C)N- InChIKey
JHLSRARFRAZKEV-UHFFFAOYSA-N- Molecular formula
- C9H21N
- Average molar mass
- 143.27 g/mol
- Monoisotopic mass
- 143.16739967
Names & identifiers
- Preferred name
- 2-Octanamine, 5-methyl-
- IUPAC
- 5-methyloctan-2-amine
- English name
- 1,4-dimethylheptylamine
- Molecular formula
- C9H21N
- Molecular weight
- 143.27
Names & synonyms
2-Octanamine, 5-methyl-67953-04-2EINECS 267-941-9DTXSID70887062RefChem:477281DTXCID0010263765-methyloctan-2-amine1,4-DIMETHYLHEPTYLAMINESCHEMBL4201028JHLSRARFRAZKEV-UHFFFAOYSA-NAKOS011549298NS00054710
Show more names
5-Methyl-2-octanamine
EN300-1867379
Database identifiers
- CAS
67953-04-2- PubChem CID
- 50007
- DTXSID
DTXSID70887062- EC Number
- 267-941-9
- Nikkaji
- J317.299F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 71.1
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Octanamine, 5-methyl- (67953-04-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Octanamine, 5-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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