Basic information
- CAS
97315-60-1- Standard SMILES
N#Cc1cc2c3c(c1)CCCN3CCC2- InChIKey
BXODSMVXUSYGPD-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Names & identifiers
- Preferred name
- 1H,5H-Benzo(ij)quinolizine-9-carbonitrile, 2,3,6,7-tetrahydro-
- IUPAC
- 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbonitrile
- English name
- Julolidine-9-carbonitrile
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
97315-60-19-Cyanojulolidine1H,5H-Benzo(ij)quinolizine-9-carbonitrile, 2,3,6,7-tetrahydro-BRN 01785372,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizine-9-carbonitrileDTXSID202428644-22-00-01143 (Beilstein Handbook Reference)RefChem:236844DTXCID50165355JULOLIDINE-9-CARBONITRILE1,2,3,5,6,7-Hexahydropyrido[3,2,1-ij]quinoline-9-carbonitrileMFCD00831192
Show more names
1H,5H-Benzo[ij]quinolizine-9-carbonitrile, 2,3,6,7-tetrahydro-
2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbonitrile1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbonitrileNSC160041SCHEMBL254936AKOS027330464NSC-160041AS-38858CS-0335819
Database identifiers
- CAS
97315-60-1- PubChem CID
- 293446
- DTXSID
DTXSID20242864- Nikkaji
- J87.920G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 384.5 · 384.5±41.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南卓凡化工有限公司15638881523 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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