Basic information
- CAS
27816-53-1- Standard SMILES
Cc1ccc2c(ccn2C)c1- InChIKey
PZNYKBLADPHGMI-UHFFFAOYSA-N- Molecular formula
- C10H11N
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.08914935
Names & identifiers
- Preferred name
- 1,5-Dimethylindole
- IUPAC
- 1,5-dimethylindole
- English name
- 1,5-dimethyl-1H-indole
- Molecular formula
- C10H11N
- Molecular weight
- 145.2
Names & synonyms
1,5-dimethyl-1H-indole1H-Indole, 1,5-dimethyl-1,5-dimethylindoleGNI9NQ1U57UNII-GNI9NQ1U57DTXSID40182132RefChem:196839DTXCID5010462327816-53-15-methyl-N-methylindoleSCHEMBL194289SCHEMBL423394
Show more names
SCHEMBL1101086SCHEMBL5230150SCHEMBL21831524SCHEMBL28070440SCHEMBL29624271PZNYKBLADPHGMI-UHFFFAOYSA-NAKOS004119674HS-7684
Database identifiers
- CAS
27816-53-1- PubChem CID
- 141379
- DTXSID
DTXSID40182132- UNII
- GNI9NQ1U57
- Nikkaji
- J292.132D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 82.5 °C · 82.5°C (estimate)
- Boiling point
- 262.05 °C · 262.05°C
- Density
- 1.0641 · 1.0641 (estimate)
- refractive index
- 1.603 · 1.6030 (estimate)
- FDA UNII
- 9 NQ1U57 · GNI9NQ1U57
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers8 total
上海策嵘生物科技有限公司[email protected]
苏州启航生物科技有限公司18151111370
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
3 records
Compound notes
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