Basic information
- CAS
25177-65-5- Standard SMILES
O=C(O)CCCCCc1c[nH]c2ccccc12- InChIKey
MDAWQYLSKUSBQG-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- 6-(1H-indol-3-yl)hexanoic acid
- IUPAC
- 6-(1H-indol-3-yl)hexanoic acid
- English name
- 6-(1H-Indol-3-yl)hexanoic acid
- Molecular formula
- C14H17NO2
- Molecular weight
- 231.29
Names & synonyms
6-(1H-indol-3-yl)hexanoic acid25177-65-51H-Indole-3-hexanoic acidDTXSID20405432RefChem:539081DTXCID90356285970-542-96-(1H-INDOL-3-YL)HEXANOICACID3-indole-caproic acid6-indol-3-ylhexanoic acidSCHEMBL1305574MDAWQYLSKUSBQG-UHFFFAOYSA-N
Show more names
ABA17765SBB097780AKOS000122957DB-350110CS-0225409EN300-12377AG-777/25006391
Database identifiers
- CAS
25177-65-5- PubChem CID
- 4672789
- DTXSID
DTXSID20405432- EC Number
- 970-542-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
4 records
Compound notes
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