N-benzyl-1-(2-methoxy-1,3-thiazol-5-yl)methanamine hydrochloride
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Basic information
- CAS
937655-22-6- Standard SMILES
COc1ncc(CNCc2ccccc2)s1- InChIKey
KIMBPGUAODOPBO-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.08268425
Names & identifiers
- Preferred name
- N-benzyl-1-(2-methoxy-1,3-thiazol-5-yl)methanamine hydrochloride
- IUPAC
- N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
- English name
- N-Benzyl-1-(2-methoxy-1,3-thiazol-5-yl)-methanamine hydrochloride
- Molecular formula
- C12H14N2OS
- Molecular weight
- 234.32
Names & synonyms
N-benzyl-1-(2-methoxy-1,3-thiazol-5-yl)methanamine hydrochlorideMFCD18071326ALBB-015276AKOS000320721Benzyl-(2-methoxy-thiazol-5-ylmethyl)-amineN-[(2-methoxythiazol-5-yl)methyl]-1-phenyl-methanamine5-Thiazolemethanamine, 2-methoxy-N-(phenylmethyl)-N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-1-phenylmethanamineN-benzyl-1-(2-methoxythiazol-5-yl)methanamine hydrochlorideN-Benzyl-1-(2-methoxy-1,3-thiazol-5-yl)-methanamine hydrochloride
Database identifiers
- CAS
937655-22-6- PubChem CID
- 16494809
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 351.2 · 351.2±34.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 7.29 · 7.29±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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