Basic information
- CAS
151409-79-9- Standard SMILES
Cc1ccc(Cn2cc(C=O)c3ccccc32)cc1- InChIKey
RDJOPYUWTRUVCS-UHFFFAOYSA-N- Molecular formula
- C17H15NO
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.1153641
Names & identifiers
- Preferred name
- 1-(4-methylbenzyl)-1H-indole-3-carbaldehyde
- IUPAC
- 1-[(4-methylphenyl)methyl]indole-3-carbaldehyde
- English name
- 1-[(4-METHYLPHENYL)METHYL]-1H-INDOLE-3-CARBALDEHYDE
- Molecular formula
- C17H15NO
- Molecular weight
- 249.31
Names & synonyms
151409-79-91-(4-methylbenzyl)-1H-indole-3-carbaldehydeDTXSID90354524RefChem:425864DTXCID20305584801-218-61-[(4-methylphenyl)methyl]-1H-indole-3-carbaldehyde1-[(4-methylphenyl)methyl]indole-3-carbaldehydeMFCD026170781-(4-Methylbenzyl)indole-3-carboxaldehyde1-(p-tolylmethyl)indole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 1-[(4-methylphenyl)methyl]-
Show more names
ASISCHEM R43609CHEMBRDG-BB 64381061-[(4-METHYLPHENYL)METHYL]-1H-INDOLE-3-CARBOXALDEHYDE1-(4-methylbenzyl)-1H-indole-3-carbaldehyde(SALTDATA: FREE)
MLS001200549SCHEMBL8758318CHEMBL1358782HMS2853K11ALBB-032852BBL015329SBB100595STK281945
Database identifiers
- CAS
151409-79-9- PubChem CID
- 775565
- DTXSID
DTXSID90354524- ChEMBL
CHEMBL1358782- EC Number
- 801-218-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility11.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Suppliers18 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]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [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]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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