1H-Carbazole-6-carbonitrile, 2,3,4,9-tetrahydro-
Basic information
- CAS
100723-77-1- Standard SMILES
N#Cc1ccc2[nH]c3c(c2c1)CCCC3- InChIKey
ZJZCODRVOUTZLA-UHFFFAOYSA-N- Molecular formula
- C13H12N2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.10004839
Names & identifiers
- Preferred name
- 1H-Carbazole-6-carbonitrile, 2,3,4,9-tetrahydro-
- IUPAC
- 6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile
- English name
- 6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile
- Molecular formula
- C13H12N2
- Molecular weight
- 196.25
Names & synonyms
100723-77-11H-Carbazole-6-carbonitrile, 2,3,4,9-tetrahydro-DTXSID10288216RefChem:237694DTXCID502393632,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrileNSC54766SCHEMBL4032070AEA72377CS-B1538MFCD12402555
Show more names
NSC-54766AKOS023555201DA-16430SY151564D77296EN300-125058Z1255493270
Database identifiers
- CAS
100723-77-1- PubChem CID
- 244148
- DTXSID
DTXSID10288216- Nikkaji
- J854.366F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 117 · 117-119 °C
- Boiling point
- 403.3 · 403.3±40.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 16.46 · 16.46±0.20(Predicted)
- Comptox DTXSID
- 10288216 · DTXSID10288216
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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