Basic information
- CAS
4439-53-6- Standard SMILES
c1ccc(C[NH2+]Cc2ccco2)cc1- InChIKey
WDTGNYDDCJERKR-UHFFFAOYSA-O- Molecular formula
- C12H14NO+
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.10753907
Names & identifiers
- Preferred name
- N-Benzyl(furan-2-yl)methanaminium
- IUPAC
- benzyl(furan-2-ylmethyl)azanium
- English name
- Benzyl-furan-2-ylmethyl-amine
- Molecular formula
- C12H13NO
- Molecular weight
- 187.24
Names & synonyms
DTXSID50963212N-Benzyl(furan-2-yl)methanaminiumRMA-4172AKOS B023112ART-CHEM-BB B023112TIMTEC-BB SBB007172Benzyl-furan-2-ylmethyl-amineN-BENZYL-N-(2-FURYLMETHYL)AMINEN-BENZYL-1-(2-FURYL)METHANAMINEN-Benzyl-1-(furan-2-yl)methanamineN-(Phenylmethyl)-2-furanmethanamine2-Furanmethanamine, N-(phenylmethyl)-
Database identifiers
- CAS
4439-53-6- PubChem CID
- 5086887
- DTXSID
DTXSID50963212
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 154
Physicochemical properties
- Melting point
- 78 · 78-81 °C
- Boiling point
- 115 · 115-124 °C(Press: 4 Torr)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- pka
- 7.97 · 7.97±0.20(Predicted)
- CAS DataBase Reference
- 4439 · 4439-53-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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