Basic information
- CAS
13865-46-8- Standard SMILES
CCCCCCCCCCC(C)N- InChIKey
VXUXKOBYNVVANW-UHFFFAOYSA-N- Molecular formula
- C12H27N
- Average molar mass
- 185.35 g/mol
- Monoisotopic mass
- 185.21434986
Names & identifiers
- Preferred name
- Dodecan-2-amine
- IUPAC
- dodecan-2-amine
- English name
- 1-methylundecylamine
- Molecular formula
- C12H27N
- Molecular weight
- 185.35
Names & synonyms
dodecan-2-amine13865-46-81-Methylundecylamine2-DodecanamineEINECS 237-612-42-Aminododecan2-amino dodecaneSCHEMBL458142SCHEMBL3965209SCHEMBL9214274SCHEMBL10528684DTXSID00930176
Show more names
NAA86546CS-0224543NS00052661EN300-119896
Database identifiers
- CAS
13865-46-8- PubChem CID
- 117167
- DTXSID
DTXSID00930176- EC Number
- 237-612-4
- Nikkaji
- J280.347J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 91.1
Physicochemical properties
- Boiling point
- 249.7 · 249.7±8.0 °C(Predicted)
- Density
- 0.803 · 0.803±0.06 g/cm3(Predicted)
- pka
- 11.03 · 11.03±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
1 records
Compound notes
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