Basic information
- CAS
339207-77-1- Standard SMILES
OCC(Cc1cnc[nH]1)NCc1ccccc1- InChIKey
ARSAGVGSZLEXHZ-UHFFFAOYSA-N- Molecular formula
- C13H17N3O
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.13716217
Names & identifiers
- Preferred name
- 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol
- IUPAC
- 2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol
- English name
- CHEMBRDG-BB 6963959
- Molecular formula
- C13H17N3O
- Molecular weight
- 231.29
Names & synonyms
2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol339207-77-1Oprea1_759357CHEMBL4539127DTXSID20328899EU-0079556AG-205/336600552-(benzylamino)-3-(1H-imidazol-5-yl)-1-propanolCHEMBRDG-BB 69639591H-Imidazole-5-propanol, β-[(phenylmethyl)amino]-2-(benzylamino)-3-(1H-imidazol-5-yl)propan-1-ol(SALTDATA: HCl)
Database identifiers
- CAS
339207-77-1- PubChem CID
- 415115
- DTXSID
DTXSID20328899- ChEMBL
CHEMBL4539127
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 502.4 · 502.4±40.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 13.89 · 13.89±0.10(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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