Di-tert-amylamine
Basic information
- CAS
2978-47-4- Standard SMILES
CCC(C)(C)NC(C)(C)CC- InChIKey
SNHZNFDWSYMNDN-UHFFFAOYSA-N- Molecular formula
- C10H23N
- Average molar mass
- 157.3 g/mol
- Monoisotopic mass
- 157.18304974
Names & identifiers
- Preferred name
- Di-tert-amylamine
- IUPAC
- 2-methyl-N-(2-methylbutan-2-yl)butan-2-amine
- English name
- Di-tert-amylamine
- Molecular formula
- C10H23N
- Molecular weight
- 157.3
Names & synonyms
Di-tert-amylamine2978-47-4DTXSID60403477RefChem:586092DTXCID80354331622-968-92-methyl-N-(2-methylbutan-2-yl)butan-2-aminedi-t-amylamine2-Butanamine, N-(1,1-dimethylpropyl)-2-methyl-SCHEMBL156986SCHEMBL156987AKOS015895002
Database identifiers
- CAS
2978-47-4- PubChem CID
- 4456488
- DTXSID
DTXSID60403477- EC Number
- 622-968-9
- Nikkaji
- J2.644.078E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 173 °C · 173 °C(lit.)
- Density
- 0.782 g/mL · 0.782 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.43(lit.)
- Flash point
- 95 °F · 95 °F
- pka
- 11.12 · 11.12±0.48(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 10 · 10-34
- Safety Statements
- 16 · 16-26-36/37/39-45
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 3 · 3
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, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, 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
- wgk
- 3
- ridadr
- UN 2734 8/PG 2
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 16-26-36/37/39-45
- Hazard statements
- H226-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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