Basic information
- CAS
4439-56-9- Standard SMILES
c1ccc(NCc2ccco2)cc1- InChIKey
HCYZEVXWZFESIN-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- N-[(furan-2-yl)methyl]aniline
- IUPAC
- N-(furan-2-ylmethyl)aniline
- English name
- NSC97553
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
N-[(furan-2-yl)methyl]anilineN-((furan-2-yl)methyl)anilineRefChem:823199896-624-34439-56-9N-(2-Furylmethyl)-N-phenylamineN-(furan-2-ylmethyl)anilineN-FurfurylanilineNSC975532-Furanmethanamine, N-phenyl-N-(2-furylmethyl)anilineN-(2-Furanylmethyl)aniline
Show more names
RMA-4137N-(furan-2-ylmethyl) aniline analogue
furfurylanilinefurfuryl anilineN-PhenylfurfurylamineChemDiv2_0016222-furylmethyl(phenyl)amineOprea1_660254CHEMBL259701SCHEMBL2805209
Database identifiers
- CAS
4439-56-9- PubChem CID
- 57541
- DTXSID
DTXSID70275627- ChEMBL
CHEMBL259701- EC Number
- 896-624-3
- Nikkaji
- J734.196B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 101 · 101-103 °C
- Boiling point
- 146 · 146-148 °C(Press: 10 Torr)
- Density
- 1.1119 g/cm³ · 1.1119 g/cm³
- pka
- 3.68 · 3.680±0.50(predicted)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers3 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
Related reactions
2 records
Compound notes
Loading…