Basic information
- CAS
1125-40-2- Standard SMILES
Cc1c[nH]c2ccc(O)cc12- InChIKey
NPHFOFOYWYLBTF-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 3-methyl-1H-indol-5-ol
- IUPAC
- 3-methyl-1H-indol-5-ol
- English name
- 5-Hydroxy-3-methylindole
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
5-Hydroxy-3-methylindole3-Methyl-1H-indol-5-ol1125-40-221QUG33SLMLUMOGEN NO. 1DTXSID60150075RefChem:102793DTXCID00725665-hydroxyskatoleMFCD030952101H-Indol-5-ol, 3-methyl-3-methyl-5-hydroxyindole
Show more names
3-methyl-1H-indol-5-ol - [AC77590]
UNII-21QUG33SLMSCHEMBL664847SCHEMBL3169369SCHEMBL8665559INDOL-5-OL, 3-METHYL-NPHFOFOYWYLBTF-UHFFFAOYSA-NAKOS006348082FH13802
Database identifiers
- CAS
1125-40-2- PubChem CID
- 192734
- DTXSID
DTXSID60150075- UNII
- 21QUG33SLM
- Nikkaji
- J543.662A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Collision Cross Section127.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 114 · 114-115℃
- Boiling point
- 344.8 · 344.8±22.0 °C(Predicted)
- Density
- 1.262 · 1.262
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 10.17 · 10.17±0.40(Predicted)
- Appearance
- Off-white to light brown Solid
- FDA UNII
- 21 QUG33SLM · 21QUG33SLM
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Chemistry & industry
Suppliers48 total
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [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]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海智存生物科技有限公司 (上海图芃生物科技有限公司）13761914825
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Related reactions
13 records
Compound notes
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