Basic information
- CAS
4439-53-6- Standard SMILES
c1ccc(CNCc2ccco2)cc1- InChIKey
WDTGNYDDCJERKR-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- Benzyl(furan-2-ylmethyl)amine
- IUPAC
- N-(furan-2-ylmethyl)-1-phenylmethanamine
- English name
- Benzyl-furan-2-ylmethyl-amine
- Molecular formula
- C12H13NO
- Molecular weight
- 187.24
Names & synonyms
benzyl(furan-2-ylmethyl)amineRefChem:566903817-101-84439-53-6Benzyl-furan-2-ylmethyl-amineN-benzyl-N-(2-furylmethyl)amineN-benzyl-1-(furan-2-yl)methanamineBenzylfuran-2-ylmethylamineMFCD00726691N-benzylfurfurylamineN-(furan-2-ylmethyl)-1-phenylmethanaminebenzyl[(furan-2-yl)methyl]amine
Show more names
RMA-4172AKOS B023112TIMTEC-BB SBB007172N-BENZYL-1-(2-FURYL)METHANAMINEN-(Phenylmethyl)-2-furanmethanamine2-Furanmethanamine, N-(phenylmethyl)-
(2-furylmethyl)benzylamineN-Benzyl-1-(2-furyl)methanamine hydrochloride2-furanylmethyl-(phenylmethyl)ammoniumART-CHEM-BB B023112ChemDiv2_001664A826566Oprea1_031138Oprea1_352376
Database identifiers
- CAS
4439-53-6- PubChem CID
- 39338
- ChEMBL
CHEMBL1617227- EC Number
- 817-101-8
- Nikkaji
- J1.085.257I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
Loading…