N-tert-Amyl-1,1-dimethylpropargylamine
Basic information
- CAS
2978-40-7- Standard SMILES
C#CC(C)(C)NC(C)(C)CC- InChIKey
QZIVTSHQTWUMNU-UHFFFAOYSA-N- Molecular formula
- C10H19N
- Average molar mass
- 153.26 g/mol
- Monoisotopic mass
- 153.15174961
Names & identifiers
- Preferred name
- N-tert-Amyl-1,1-dimethylpropargylamine
- IUPAC
- 2-methyl-N-(2-methylbut-3-yn-2-yl)butan-2-amine
- English name
- N-tert-AMYL-1 1-dimethylpropargylamine
- Molecular formula
- C10H19N
- Molecular weight
- 153.26
Names & synonyms
N-tert-Amyl-1,1-dimethylpropargylamine2978-40-7DTXSID40338197RefChem:364923DTXCID702892842-Methyl-N-(tert-pentyl)but-3-yn-2-amine2-methyl-N-(2-methylbut-3-yn-2-yl)butan-2-amineSCHEMBL2915883QZIVTSHQTWUMNU-UHFFFAOYSA-N2-Methyl-N-(tert-pentyl)-3-butyn-2-amine #2-Methyl-N-(2-methylbutan-2-yl)but-3-yn-2-aminebutane, 2-methyl-2-(1,1-dimethylpropargyl)amino-
Show more names
N-tert-Amyl-1,1-dimethylpropargylamine 98%3-Butyn-2-amine, N-(1,1-dimethylpropyl)-2-methyl-
N-TERT-AMYL-1,1-DIMETHYLPROPARGYLAMINE, 98%N-(1,1-Dimethyl-2-propynyl)-N-(1,1-dimethylpropyl)amine
Database identifiers
- CAS
2978-40-7- PubChem CID
- 547435
- DTXSID
DTXSID40338197- EC Number
- 690-603-0
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 164 °C · 164 °C(lit.)
- Density
- 0.809 g/mL · 0.809 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.439(lit.)
- Flash point
- 100 °F · 100 °F
- pka
- 8.04 · 8.04±0.20(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-26-36
- RIDADR
- 1993 · UN 1993 3/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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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 1993 3/PG 2
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 16-26-36
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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