Basic information
- CAS
26325-21-3- Standard SMILES
Cc1cc2cccc(N)c2o1- InChIKey
VMXJEZLMUVFOQU-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 2-Methyl-benzofuran-7-ylamine
- IUPAC
- 2-methyl-1-benzofuran-7-amine
- English name
- 2-Methyl-benzofuran-7-ylamine
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
26325-21-32-Methyl-benzofuran-7-ylamine2-Methylbenzofuran-7-amine2-methyl-1-benzofuran-7-amine(2-Methyl-1-benzofuran-7-yl)amine7-Benzofuranamine, 2-methyl-2-methylbenzo[b]furan-7-ylamineSCHEMBL2253369CHEMBL3273875DTXSID50390140(2-methyl-benzofuran-7-yl)-amineMFCD06617953
Show more names
CBI-BB ZERO/006178CHEMBRDG-BB 4013734TIMTEC-BB SBB010312ASINEX-REAG BAS 087678882-Methyl-7-benzofuranamine
SBB010312(2-methyl-1-benzofuran-7-yl) amineAKOS000303143DA-07559CS-0328195ST50285716
Database identifiers
- CAS
26325-21-3- PubChem CID
- 3157485
- DTXSID
DTXSID50390140- ChEMBL
CHEMBL3273875
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 281.4 · 281.4±20.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- pka
- 3.68 · 3.68±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
11 records
Compound notes
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