2-(N-Propylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
88630-43-7- Standard SMILES
CCCNC(=O)N1CCc2ccccc2C1- InChIKey
JORKKSUCVHWJBE-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- 2-(N-Propylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
- English name
- 2-(N-Propylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C13H18N2O
- Molecular weight
- 218.29
Names & synonyms
2-(N-PROPYLCARBAMOYL)-1,2,3,4-TETRAHYDROISOQUINOLINERefChem:461568632-959-188630-43-7N-PROPYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDEN-propyl-2-1,2,3,4-tetrahydroisoquinolylcarboxamideSCHEMBL8382600DTXSID60397468SBB057678AKOS008666758ST505602312-(N-PROPYLCARBAMOYL)-1,2,3,4-TETRA-HYDROISOQUINOLINE
Show more names
2(1H)-Isoquinolinecarboxamide, 3,4-dihydro-N-propyl-
InChI=1/C13H18N2O/c1-2-8-14-13(16)15-9-7-11-5-3-4-6-12(11)10-15/h3-6H,2,7-10H2,1H3,(H,14,16
Database identifiers
- CAS
88630-43-7- PubChem CID
- 3859615
- DTXSID
DTXSID60397468- EC Number
- 632-959-1
- Nikkaji
- J308.008K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 377.8 · 377.8±0.0 °C(Predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 14.34 · 14.34±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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