Basic information
- CAS
7443-47-2- Standard SMILES
N#CC1C(=N)Cc2ccccc2-c2ccccc21- InChIKey
UGFOMFGCDBVENN-UHFFFAOYSA-N- Molecular formula
- C16H12N2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.10004839
Names & identifiers
- Preferred name
- 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile
- IUPAC
- 9-iminotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8-carbonitrile
- English name
- 6-Imino-6,7-dihydro-5H-dibenzo(a,c)cycloheptene-5-carbonitrile
- Molecular formula
- C16H12N2
- Molecular weight
- 232.28
Names & synonyms
7443-47-2NSC73048NSC 73048MLS0026938206-Imino-6,7-dihydro-5H-dibenzo(a,c)cycloheptene-5-carbonitrile6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrileNCIOpen2_003754CHEMBL1706116HMS3085H09NSC-73048NSC116231AKOS024329962
Show more names
5H-Dibenzo[a,c]cycloheptene-5-carbonitrile, 6,7-dihydro-6-imino-
NSC-116231SMR0015597616-imino-5,7-dihydrodibenzo[[?],[?]][7]annulene-5-carbonitrile
Database identifiers
- CAS
7443-47-2- PubChem CID
- 251963
- ChEMBL
CHEMBL1706116
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 189 °C · 189 °C
- Boiling point
- 534.5 · 534.5±50.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 8.02 · 8.02±0.40(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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