Basic information
- CAS
68411-48-3- Standard SMILES
CC(C)CCCCCCCc1ccc(N)cc1- InChIKey
VTDJVUVSXKGADB-UHFFFAOYSA-N- Molecular formula
- C16H27N
- Average molar mass
- 233.39 g/mol
- Monoisotopic mass
- 233.21434987
Names & identifiers
- Preferred name
- 4-(8-Methylnonyl)aniline
- IUPAC
- 4-(8-methylnonyl)aniline
- English name
- DODECYLANILINE
- Molecular formula
- C18H31N
- Molecular weight
- 261.44544
Names & synonyms
4-(8-methylnonyl)anilineDTXSID20867596RefChem:1070012DTXCID40815771SCHEMBL7534665VTDJVUVSXKGADB-UHFFFAOYSA-NNS00126120cp45528DODECYLANILINE(c12)branchedalkylanilinedodecyl-benzenaminbranchedBenzenamine, dodecyl-, branched
Show more names
4-DODECYLANILINE (ISOMER MIXTURE)
Database identifiers
- CAS
68411-48-3- PubChem CID
- 110201
- DTXSID
DTXSID20867596
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Dodecylaniline branched (68411-48-3)
- 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
Suppliers1 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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