Basic information
- CAS
105-51-1- Standard SMILES
CC(C)CC(C)NC(C)CC(C)C- InChIKey
WNOMKCAADBZQOV-UHFFFAOYSA-N- Molecular formula
- C12H27N
- Average molar mass
- 185.35 g/mol
- Monoisotopic mass
- 185.21434987
Names & identifiers
- Preferred name
- 1,1',3,3'-Tetramethyldibutylamine
- IUPAC
- 4-methyl-N-(4-methylpentan-2-yl)pentan-2-amine
- English name
- 1,1',3,3'-tetramethyldibutylamine
- Molecular formula
- C12H27N
- Molecular weight
- 185.35
Names & synonyms
1,1',3,3'-TetramethyldibutylamineEINECS 203-303-8N-(1,3-Dimethylbutyl)-4-methyl-2-pentanamineNSC 48081RefChem:408909203-303-8105-51-14-methyl-n-(4-methylpentan-2-yl)pentan-2-amine1,3,3'-TetramethyldibutylamineNSC48081SCHEMBL314768SCHEMBL314769
Show more names
2-Pentanamine, N-(1,3-dimethylbutyl)-4-methyl-
DTXSID50909291WNOMKCAADBZQOV-UHFFFAOYSA-NDibutylamine,1',3,3'-tetramethyl-NSC-48081AKOS0094590402-Pentanamine,3-dimethylbutyl)-4-methyl-NS00041369bis(1,3-DIMETHYLBUTYL)AMINE TECHNICAL GRADE
Database identifiers
- CAS
105-51-1- PubChem CID
- 96012
- DTXSID
DTXSID50909291- EC Number
- 203-303-8
- Nikkaji
- J182.196B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 201.2 · 201.2±8.0 °C(Predicted)
- Density
- 0.782 · 0.782±0.06 g/cm3(Predicted)
- pka
- 11.19 · 11.19±0.29(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H226-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- Hazard statements
- H314-H226-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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