Basic information
- CAS
10125-86-7- Standard SMILES
CC(C)(C)N(CCCl)CCCl- InChIKey
BSXSSXPCEVBUSF-UHFFFAOYSA-N- Molecular formula
- C8H17Cl2N
- Average molar mass
- 198.13 g/mol
- Monoisotopic mass
- 197.0738049
Names & identifiers
- Preferred name
- Triethylamine, 2',2''-dichloro-1,1-dimethyl-
- IUPAC
- N,N-bis(2-chloroethyl)-2-methylpropan-2-amine
- English name
- N,N-Bis(2-chloroethyl)-1,1-dimethylethan-1-amine
- Molecular formula
- C8H17Cl2N
- Molecular weight
- 198.13
Names & synonyms
10125-86-7Triethylamine, 2',2''-dichloro-1,1-dimethyl-DTXSID10143811RefChem:1100391DTXCID7066302N,N-bis(2-chloroethyl)-2-methylpropan-2-amine2',2''-Dichloro-1,1-dimethyltriethylamineNSC 57249BRN 17400492-Propanamine, N,N-bis(2-chloroethyl)-2-methyl-NSC57249N,N-Bis(2-chloroethyl)-1,1-dimethylethan-1-amine
Show more names
3-04-00-00323 (Beilstein Handbook Reference)2',1-(dimethyltriethyl)amineSCHEMBL3325654N-t-butylbis(2-chloroethyl)amineBSXSSXPCEVBUSF-UHFFFAOYSA-Nbis-(2-chloroethyl)-tert-butylamineN-tert-butylbis(2-chloroethyl)amineNSC-57249
Database identifiers
- CAS
10125-86-7- PubChem CID
- 96167
- DTXSID
DTXSID10143811- Nikkaji
- J48.986G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 92
Physicochemical properties
- Boiling point
- 324.35 °C · 324.35°C (rough estimate)
- Density
- 1.1707 · 1.1707 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- pka
- 6 · 6+-.0.50(Predicted)
Related reactions
4 records
Compound notes
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