Basic information
- CAS
17104-27-7- Standard SMILES
CC1=NCCc2cc3c(cc21)OCO3- InChIKey
YLUYJLOJLQVWPT-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 5-Methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
- IUPAC
- 5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
- English name
- 5-Methyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline17104-27-7MFCD081667165-methyl-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline1,3-Dioxolo[4,5-g]isoquinoline, 7,8-dihydro-5-methyl-5-METHYL-2H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLINENSC279545SCHEMBL4766558DTXSID30314006AKOS 203-22AKOS BBS-00006805SBB042704
Show more names
7,8-dihydro-5-methyl-1,3-Dioxolo[4,5-g]isoquinoline
AKOS000268885NSC-279545CS-11415DA-19038SY019847CS-0315114AP-123/40765216F386982
Database identifiers
- CAS
17104-27-7- PubChem CID
- 322385
- DTXSID
DTXSID30314006
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 89 · 89-91 °C
- Boiling point
- 303.4 · 303.4±42.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 6.39 · 6.39±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
上海昭昀生物科技有限公司19983777532 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
苏州东极化学科技有限公司0512-66873333 18516099287 · [email protected]
上海沃见生物科技有限公司021-18017654 18017654809 · [email protected]
南京阿斯法姆医药科技有限公司02558867862; 18751812725 · [email protected]
上海瑞昶医药科技有限公司18621054990 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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