3-(1-Benzyl-1H-indol-3-yl)propanoic acid
Basic information
- CAS
141071-79-6- Standard SMILES
O=C(O)CCc1cn(Cc2ccccc2)c2ccccc12- InChIKey
QTUJYJWSZIVMMF-UHFFFAOYSA-N- Molecular formula
- C18H17NO2
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.12592878
Names & identifiers
- Preferred name
- 3-(1-Benzyl-1H-indol-3-yl)propanoic acid
- IUPAC
- 3-(1-benzylindol-3-yl)propanoic acid
- English name
- 3-(1-Benzyl-1H-indol-3-yl)-propionic acid
- Molecular formula
- C18H17NO2
- Molecular weight
- 279.33
Names & synonyms
3-(1-Benzyl-1H-indol-3-yl)propanoic acid141071-79-63-(1-benzylindol-3-yl)propanoic Acid1H-Indole-3-propanoic acid, 1-(phenylmethyl)-3-(1-Benzyl-1H-indol-3-yl)-propionic acidSCHEMBL2006750DTXSID10393612QTUJYJWSZIVMMF-UHFFFAOYSA-NMFCD03830273AKOS0002631423-(1-Benzylindol-3-yl)propionic AcidAS-80348
Show more names
CS-0337366E85505
Database identifiers
- CAS
141071-79-6- PubChem CID
- 3556715
- DTXSID
DTXSID10393612
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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