tert-Butylazomethine
Basic information
- CAS
13987-61-6- Standard SMILES
C=NC(C)(C)C- InChIKey
RSUCYDXEFFBUSN-UHFFFAOYSA-N- Molecular formula
- C5H11N
- Average molar mass
- 85.15 g/mol
- Monoisotopic mass
- 85.08914936
Names & identifiers
- Preferred name
- tert-Butylazomethine
- IUPAC
- N-tert-butylmethanimine
- English name
- tert-Butylazomethine
- Molecular formula
- C5H11N
- Molecular weight
- 85.15
Names & synonyms
tert-ButylazomethineN-tert-butylmethanimine13987-61-62-Propanamine, 2-methyl-N-methylene-N-Methylene-t-butylaminetert-Butylformaldiminetert-Butylmethyleneamine2-Methyl-N-methylene-2-propanamineEINECS 237-781-4DW8995TTJ9DTXSID1065689RefChem:896544
Show more names
RS RMA04167N-Methylidene-tert-butylamine
DTXCID3034531Ethylamine, 1,1-dimethyl-N-methylene-(6CI,7CI,8CI)N-tert-ButylazomethineN-Methylene-tert-butylamineUNII-DW8995TTJ9SCHEMBL335114SCHEMBL6455594SCHEMBL10525534
Database identifiers
- CAS
13987-61-6- PubChem CID
- 84134
- DTXSID
DTXSID1065689- UNII
- DW8995TTJ9
- EC Number
- 237-781-4
- Nikkaji
- J216.804I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 49.4
Physicochemical properties
- Boiling point
- 87 ℃ · 87℃
- Density
- 0.71 · 0.71
- Flash point
- -3 ℃ · -3℃
- pka
- 7.2 · 7.20±0.50(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8995 TTJ9 · DW8995TTJ9
- EPA Substance Registry System
- 2 · 2-Propanamine, 2-methyl-N-methylene- (13987-61-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanamine, 2-methyl-N-methylene-: INACTIVE
Applications
UsesN-tert-Butylazomethine is an important compound in synthetic chemistry such as in the synthesis of GSK369796 (N-tert-Butyl Isoquine) which is a novel 4-Aminoquinoline antimalarial drug.
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…