Basic information
- CAS
4013-96-1- Standard SMILES
CCC(C)NCCNC(C)CC- InChIKey
MLUUZUJIIRYWBJ-UHFFFAOYSA-N- Molecular formula
- C10H24N2
- Average molar mass
- 172.31 g/mol
- Monoisotopic mass
- 172.19394877
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N,N'-bis(1-methylpropyl)-
- IUPAC
- N,N'-di(butan-2-yl)ethane-1,2-diamine
- English name
- N,N'-Di-sec-butylethylenediamine
- Molecular formula
- C10H24N2
- Molecular weight
- 172.31
Names & synonyms
4013-96-11,2-Ethanediamine, N,N'-bis(1-methylpropyl)-N,N'-Bis-2-butyl ethylenediamineN,N'-Di-sec-butylethylenediamineN,N'-di(butan-2-yl)ethane-1,2-diamineN,N'-Disec-butylethane-1,2-diamineN,N'-Di-sec-butyl-ethylenediamine(butan-2-yl)({2-[(butan-2-yl)amino]ethyl})amineSCHEMBL4916951DTXSID90960568butane, 2-[2-(2-butylamino)ethyl]amino-N~1~,N~2~-Di(butan-2-yl)ethane-1,2-diamine
Show more names
N1,N2-di-sec-butylethane-1,2-diamineN,N'-Bis(sec-butyl)-1,2-ethanediamineN1,N2-Bis(sec-butyl)-1,2-ethanediamineN1,N2-Bis(1-methylpropyl)-1,2-ethanediamine1,2-Ethanediamine, N1,N2-bis(1-methylpropyl)-
Database identifiers
- CAS
4013-96-1- PubChem CID
- 469901
- DTXSID
DTXSID90960568- Nikkaji
- J802.149J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 81.8
Physicochemical properties
- Boiling point
- 210 °C · 210 °C
- Density
- 0.812 · 0.812±0.06 g/cm3(Predicted)
- pka
- 10.67 · 10.67±0.29(Predicted)
Chemistry & industry
Suppliers1 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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