Basic information
- CAS
474448-93-6- Standard SMILES
c1csc(CNCC2CCCO2)n1- InChIKey
BJQDUWDHDLFWMO-UHFFFAOYSA-N- Molecular formula
- C9H14N2OS
- Average molar mass
- 198.29 g/mol
Names & identifiers
- Preferred name
- (Tetrahydro-furan-2-ylmethyl)-thiazol-2-ylmethyl-amine
- IUPAC
- 1-(oxolan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
- English name
- (Tetrahydrofuran-2-ylmethyl)(1,3-thiazol-2-ylmethyl)amine dihydrochloride
- Molecular formula
- C9H14N2OS
- Molecular weight
- 198.29
Names & synonyms
474448-93-6(Tetrahydro-furan-2-ylmethyl)-thiazol-2-ylmethyl-amine1-(oxolan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine1-(Tetrahydrofuran-2-yl)-N-(thiazol-2-ylmethyl)methanamine[(oxolan-2-yl)methyl][(1,3-thiazol-2-yl)methyl]amine1-(tetrahydrofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine dihydrochlorideSCHEMBL12200804ALBB-015226MFCD06740599AKOS003593732AKOS016347242CS-0271363
Show more names
2-Thiazolemethanamine, N-[(tetrahydro-2-furanyl)methyl]-1-(tetrahydrofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine(Tetrahydrofuran-2-ylmethyl)(1,3-thiazol-2-ylmethyl)amine dihydrochloride
G50483EN300-42111731-tetrahydrofuran-2-yl-N-(thiazol-2-ylmethyl)methanamine
Database identifiers
- CAS
474448-93-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 302.7 · 302.7±17.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 6.39 · 6.39±0.20(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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