Basic information
- CAS
33985-71-6- Standard SMILES
O=Cc1cc2c3c(c1)CCCN3CCC2- InChIKey
XIIVBURSIWWDEO-UHFFFAOYSA-N- Molecular formula
- C13H15NO
- Average molar mass
- 201.26 g/mol
- Monoisotopic mass
- 201.1153641
Names & identifiers
- Preferred name
- 9-Julolidinylcarboxaldehyde
- IUPAC
- 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbaldehyde
- English name
- 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde
- Molecular formula
- C13H15NO
- Molecular weight
- 201.26
Names & synonyms
33985-71-69-Julolidinecarboxaldehyde2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-9-Julolidine carboxaldehyde9-formyljulolidineNSC 159999BRN 0178538X7O18JQ57M2,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizine-9-carboxaldehyde2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde9-JULOLIDINAL
Show more names
9-uronidineJulolidine Aldehyde2,3,6,7-Tetrahydro-19-Julolidinecarboxaldehyde>21. 1-Methylcyclopropanesulfonate Amide -2,3,3a,4,5,6-Hexahydro-3a-aza-1H-phenalene-8-carbaldehyde1,2,3,4,5,6-Hexahydro-3a-aza-3aH-phenalene-8-carbaldehyde2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizine-9-carbaldehyde
NSC-1599991H,5H-Benzo(ij)quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-DTXSID40678069-JULOLIDINYLCARBOXALDEHYDE5-21-08-00386 (Beilstein Handbook Reference)9-FORMYL-2,3,6,7-TETRAHYDRO-1H,5H-BENZO(IJ)QUINOLIZINE2,3,6,7-tetrahydro-1h,5h-pyrido(3,2,1-ij)quinoline-9-carbaldehydeRefChem:549416
Database identifiers
- CAS
33985-71-6- PubChem CID
- 98700
- DTXSID
DTXSID4067806- ChEMBL
CHEMBL2143785- UNII
- X7O18JQ57M
- EC Number
- 805-852-4
- Nikkaji
- J87.921E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 83 °C · 83 °C
- Boiling point
- 404.8 · 404.8±44.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 3.15 · 3.15±0.20(Predicted)
- color
- Light orange to Yellow to Green
- InChI
- InChI=1S/C13H15NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-9H,1-6H2
- InChIKey
- XIIVBURSIWWDEO-UHFFFAOYSA-N
- SMILES
- C12=CC(C=O)=CC3=C1N(CCC3)CCC2
- FDA UNII
- 7 O18JQ57M · X7O18JQ57M
- EPA Substance Registry System
- 1 H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, · 1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro- (33985-71-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
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 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- tsca
- TSCA listed
- rtecs
- DK1480000
- hs_code
- 2933.49.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-: ACTIVE
Applications
Description9-Julolidinecarboxaldehyde is a fluorescent probe.
Upstream & downstream products
Upstream raw materials
Suppliers84 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通小竹生物医药有限公司18015606981 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
浙江光昊光电科技有限公司
Related reactions
1 records
Compound notes
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