Basic information
- Standard SMILES
O=c1[nH]ccc2c1CCCC2- InChIKey
BSSAYGWMFGXIPF-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydroisoquinolin-1(2H)-one
- IUPAC
- 5,6,7,8-tetrahydro-2H-isoquinolin-1-one
- English name
- 5,6,7,8-Tetrahydroisoquinolin-1(2H)-one
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
26345-15-35,6,7,8-Tetrahydroisoquinolin-1(2H)-one5,6,7,8-Tetrahydroisoquinolin-1-ol5,6,7,8-Tetrahydro-2H-isoquinolin-1-one1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-MFCD18432100SCHEMBL917625SCHEMBL2624105DTXSID80597887BSSAYGWMFGXIPF-UHFFFAOYSA-NMFCD184278485,6,7,8-tetrahydro-1-isoquinolinol
Show more names
AKOS006347706AKOS023832392GS-0619hydroxy-5,6,7,8-tetrahydroisoquinoline5,6,7,8-tetrahydro-isoquinolin-1(2h)-oneCS-0312111F720377
Database identifiers
- CAS
26345-15-3- PubChem CID
- 19081118
- DTXSID
DTXSID80597887- Nikkaji
- J1.841.249G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 202 · 202-203 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
- Boiling point
- 402.4 · 402.4±18.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.13 · 13.13±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Linked notes
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