N-Ethylidene-2-methylpropan-2-amine

HCID 138901

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Basic information

CAS: 7020-80-6
Standard SMILES: CC=NC(C)(C)C
InChIKey: RPVBCVQKDPOMII-UHFFFAOYSA-N
Molecular formula: C6H13N
Average molar mass: 99.17 g/mol

Names & identifiers

Preferred name: N-Ethylidene-2-methylpropan-2-amine
IUPAC: N-tert-butylethanimine
English name: N-ETHYLIDENE TERT-BUTYLAMINE
Molecular formula: C6H13N
Molecular weight: 99.17

Names & synonyms

7020-80-6N-Ethylidene-2-methylpropan-2-amineN-tert-butylethanimineN-Ethylidene tert-butylamineTERT-BUTYL(ETHYLIDENE)AMINEt-ButylethylideneamineN-Ethylidene t-butylamineMFCD0004365662058-77-9N-Ethylidene-2-methyl-2-propanamine2-Propanamine,N-ethylidene-2-methyl-(E)-N-t-Butyl acetaldimine

Show more names

TIMTEC-BB SBB007648Acetaldehyde N-t-ButylimineACETALDEHYDE TERT-BUTYLIMINE2-PropanaMine, N-ethylidene-2-Methyl-

t-butyliminoethaneNSC223083N-tert-ButylacetaldimineAcetaldehyde t-butylimineEthanimine, N-t-butyl-N-Ethyliden-tert-butylaminethylidene-tert.-butylamineacetaldehye N-tertbutylimine

Database identifiers

CAS: 7020-80-6
PubChem CID: 138901
Nikkaji: J567.250C

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 12.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 66.7

Physicochemical properties

Melting point: 25 · 25-28 °C/95 mmHg
Boiling point: 80 · 80-81°
Density: 0.733 · 0.733±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
refractive index: 1.4 · 1.4
solubility: soluble in most organic solvents.
pka: 7.76 · 7.760±0.50(predicted)
color: colorless liquid
CAS DataBase Reference: 7020 · 7020-80-6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

UsesN-Ethylidene-tert-butylamine can be used for general synthetic approach of natural products empowered by potentially biomimetic ring expansion.