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Basic information
- CAS
2439-68-1- Standard SMILES
Cn1ccc2cc(OCc3ccccc3)ccc21- InChIKey
JMFZKYABNMMQHH-UHFFFAOYSA-N- Molecular formula
- C16H15NO
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.1153641
Names & identifiers
- Preferred name
- N-Methyl-5-benzyloxyindole
- IUPAC
- 1-methyl-5-phenylmethoxyindole
- English name
- 5-(Benzyloxy)-1-methyl-1H-indole
- Molecular formula
- C16H15NO
- Molecular weight
- 237.3
Names & synonyms
N-methyl-5-benzyloxyindoleRefChem:830498654-461-35-(benzyloxy)-1-methyl-1h-indole2439-68-11-methyl-5-phenylmethoxyindoleMLS0026948725-benzyloxy-1-methyl-1H-indoleNSC888895-benzyloxy-1-methylindoleSCHEMBL1400791SCHEMBL5448369
Show more names
1-Methyl-5-(phenylmethoxy)-1H-indole1H-Indole, 1-methyl-5-(phenylmethoxy)-
CHEMBL1732696DTXSID80293357JMFZKYABNMMQHH-UHFFFAOYSA-NHMS3092C07CAA43968NSC 88889NSC-88889AKOS016006435
Database identifiers
- CAS
2439-68-1- PubChem CID
- 259196
- DTXSID
DTXSID80293357- ChEMBL
CHEMBL1732696- EC Number
- 654-461-3
- Nikkaji
- J1.183.826J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 14.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers8 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
17 records
Compound notes
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