Basic information
- CAS
1968-17-8- Standard SMILES
COc1ccc2ccn(C)c2c1- InChIKey
VTJXLVGZNOINAD-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 6-methoxy-1-methyl-1H-indole
- IUPAC
- 6-methoxy-1-methylindole
- English name
- 6-methoxy-1-methyl-1H-indole
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
6-methoxy-1-methyl-1H-indole1968-17-8DTXSID50406472RefChem:308698DTXCID003573246-methoxy-1-methylindoleMLS002206432SCHEMBL1093766SCHEMBL7837637CHEMBL1877407SCHEMBL20562482SCHEMBL29869916
Show more names
1H-Indole, 6-methoxy-1-methyl-
VTJXLVGZNOINAD-UHFFFAOYSA-NHMS2195A05HMS3351A20AKOS004117108SMR001295248DB-086278
Database identifiers
- CAS
1968-17-8- PubChem CID
- 4777929
- DTXSID
DTXSID50406472- ChEMBL
CHEMBL1877407- Nikkaji
- J1.155.663I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 14.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 30 °C · 30 °C
- Boiling point
- 285.6 · 285.6±13.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
Related reactions
7 records
Compound notes
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