Basic information
- CAS
2521-13-3- Standard SMILES
COc1ccc2c(ccn2C)c1- InChIKey
HQNPKVBTBJUMTR-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 5-methoxy-1-methyl-1H-indole
- IUPAC
- 5-methoxy-1-methylindole
- English name
- 5-Methoxy-1-methyl-1H-indole
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
5-methoxy-1-methyl-1H-indole2521-13-3DTXSID30356123RefChem:303667DTXCID003071825-methoxy-1-methylindole1H-Indole, 5-methoxy-1-methyl-MFCD058632501-methyl-5-methoxyindole5-methoxy-N-methylindole5-methoxy-1-methyl-indole5-methoxyl -1-methylindole
Show more names
Levonorgestrel impurity 21
SCHEMBL407685SCHEMBL539086SCHEMBL5080973SCHEMBL7233306CHEMBL4576329SCHEMBL20562463SCHEMBL30444309SBB087529
Database identifiers
- CAS
2521-13-3- PubChem CID
- 819864
- DTXSID
DTXSID30356123- ChEMBL
CHEMBL4576329- Nikkaji
- J292.131F
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
- 103 · 103-104 °C
- Boiling point
- 285.6 · 285.6±13.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- solid
- color
- Pink
- InChI
- InChI=1S/C10H11NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3-7H,1-2H3
- InChIKey
- HQNPKVBTBJUMTR-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(C=C(OC)C=C2)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers36 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
16 records
Compound notes
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