Basic information
- CAS
26862-56-6- Standard SMILES
O=C(O)c1cc2c(cn1)CCCC2- InChIKey
QVRRFSGTYXPKNT-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydroisoquinoline-3-carboxylic acid
- IUPAC
- 5,6,7,8-tetrahydroisoquinoline-3-carboxylic acid
- English name
- 5,6,7,8-Tetrahydroisoquinoline-3-carboxylic acid
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
5,6,7,8-tetrahydroisoquinoline-3-carboxylic acid26862-56-6RefChem:527900833-520-95,6,7,8-tetrahydro-isoquinoline-3-carboxylic acidSCHEMBL13284382SCHEMBL30587651BBA86256AKOS023401853SB36301DB-196179EN300-135607
Show more names
3-Isoquinolinecarboxylic acid, 5,6,7,8-tetrahydro-
5,6,7,8-tetrahydroisoquinoline-3-carboxylicacid5,6,7,8-Tetrahydro-3-isoquinolinecarboxylic acidZ1255458611
Database identifiers
- CAS
26862-56-6- PubChem CID
- 83671071
- EC Number
- 833-520-9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 346 · 346.0±42.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 1.2 · 1.20±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海智乾生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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