Basic information
- CAS
3964-15-6- Standard SMILES
CC(C)CC(C)NCCNC(C)CC(C)C- InChIKey
LCKHBYOSKOUPOT-UHFFFAOYSA-N- Molecular formula
- C14H32N2
- Average molar mass
- 228.42 g/mol
- Monoisotopic mass
- 228.25654903
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N,N'-bis(1,3-dimethylbutyl)-
- IUPAC
- N,N'-bis(4-methylpentan-2-yl)ethane-1,2-diamine
Names & synonyms
3964-15-61,2-Ethanediamine, N,N'-bis(1,3-dimethylbutyl)-DTXSID00332858RefChem:216223DTXCID40283951N1,N2-Bis(4-methylpentan-2-yl)ethane-1,2-diamineN,N'-bis(1,3-dimethylbutyl)ethane-1,2-diamineN,N'-Bis(4-methyl-2-pentyl)-ethylenediamineSCHEMBL1241849LCKHBYOSKOUPOT-UHFFFAOYSA-NN,N'-Bis(4-methyl-2-pentyl)ethylenediamineN~1~,N~2~-Bis(4-methylpentan-2-yl)ethane-1,2-diamine
Database identifiers
- CAS
3964-15-6- PubChem CID
- 469907
- DTXSID
DTXSID00332858- EC Number
- 682-789-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 137
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…