Basic information
- CAS
10333-11-6- Standard SMILES
O=C1CCC2=C(CCCC2)N1- InChIKey
QKNPGPYFWRUKRM-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone
- IUPAC
- 3,4,5,6,7,8-hexahydro-1H-quinolin-2-one
- English name
- 3,4,5,6,7,8-HEXAHYDRO-2(1H)-QUINOLINONE
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
10333-11-63,4,5,6,7,8-Hexahydro-2(1H)-quinolinoneDTXSID70352902RefChem:485658DTXCID40303966623-111-13,4,5,6,7,8-hexahydroquinolin-2(1h)-one3,4,5,6,7,8-hexahydro-1H-quinolin-2-one1,2,3,4,5,6,7,8-octahydroquinolin-2-one2(1H)-Quinolinone,3,4,5,6,7,8-hexahydro-SCHEMBL1763886MFCD00012091
Show more names
2(1H)-Quinolinone, 3,4,5,6,7,8-hexahydro-3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone 97%3,4,5,6,7,8-HEXAHYDRO-2(1H)-QUINOLINONE ISO 9001：2015 REACH
3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone, 97%FT-07223152,5-Dimethoxy-4-(propylthio)benzeneethanaminehydrochlorideAKOS0022201121,3,4,5,6,7,8-heptahydroquinolin-2-oneCS-0440045ST501156903,4,5,6,7,8,-hexahydro-2(1H)-quinolinone
Database identifiers
- CAS
10333-11-6- PubChem CID
- 736004
- DTXSID
DTXSID70352902- EC Number
- 623-111-1
- Nikkaji
- J470.828H
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- 218
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 143 · 143-146 °C (lit.)
- Boiling point
- 110 °C · 110 °C(Press: 0.2 Torr)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 15.62 · 15.62±0.20(Predicted)
- InChI
- 1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H2,(H,10,11)
- InChIKey
- QKNPGPYFWRUKRM-UHFFFAOYSA-N
- SMILES
- O=C1CCC2=C(CCCC2)N1
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-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)
Aggregated GHS information provided per 39 reports by companies from 2 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone may be used in chemical synthesis.
Suppliers11 total
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北丽都新材料科技有限公司19307245857 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
8 records
Compound notes
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