1-(4-methylbenzyl)-1H-indole-3-carbaldehyde

ASISCHEM R43609 · CHEMBRDG-BB 6438106 · 1-(4-METHYLBENZYL)-1H-INDOLE-3-CARBALDEHYDE · 1-[(4-METHYLPHENYL)METHYL]-1H-INDOLE-3-CARBALDEHYDE · 1-[(4-METHYLPHENYL)METHYL]-1H-INDOLE-3-CARBOXALDEHYDE · 1H-INDOLE-3-CARBOXALDEHYDE, 1-[(4-METHYLPHENYL)METHYL]- · 1-(4-methylbenzyl)-1H-indole-3-carbaldehyde(SALTDATA: FREE)

https://huagongshe.com/en/chemical/775565

1-(4-methylbenzyl)-1H-indole-3-carbaldehyde molecular structure

Identifiers & Physical Properties

CAS No.	151409-79-9
Molecular formula	C17H15NO
Average molar mass	249.31 g/mol
Monoisotopic mass	249.1153641 g/mol
SMILES	Cc1ccc(Cn2cc(C=O)c3ccccc32)cc1
InChIKey	RDJOPYUWTRUVCS-UHFFFAOYSA-N
PubChem CID	775565
ChEMBL	CHEMBL1358782
EC No.	801-218-6
DTXSID	DTXSID90354524

Chemical & Physical Properties

XLogP	3.4
Topological polar surface area	22
Hydrogen bond donors	0
Hydrogen bond acceptors	1
Rotatable bonds	3
Heavy atoms	19
Formal charge	0
Complexity	308
Solubility	11.7 [ug/mL] (The mean of the results at pH 7.4)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302-H312-H332
GHS precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Safety & Regulations

GHS classification	WarningH315 (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.
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H302-H312-H332
GHS precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501