as-Triazine, 1,4,5,6-tetrahydro-3-(10,11-dihydrodibenzo(a,d)cyclohepten-5-yl)-1-methyl-, hydrobromide
Basic information
- CAS
22187-44-6- Standard SMILES
Br.CN1CCN=C(C2c3ccccc3CCc3ccccc32)N1- InChIKey
JMTHVMBPFMWODM-UHFFFAOYSA-N- Molecular formula
- C19H22BrN3
- Average molar mass
- 372.3 g/mol
- Monoisotopic mass
- 371.09971
Names & identifiers
- Preferred name
- as-Triazine, 1,4,5,6-tetrahydro-3-(10,11-dihydrodibenzo(a,d)cyclohepten-5-yl)-1-methyl-, hydrobromide
- IUPAC
- 1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5,6-dihydro-2H-1,2,4-triazine;hydrobromide
Names & synonyms
22187-44-6as-Triazine, 1,4,5,6-tetrahydro-3-(10,11-dihydrodibenzo(a,d)cyclohepten-5-yl)-1-methyl-, hydrobromideRefChem:320095DTXSID409448383-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-1-methyl-1,2,5,6-tetrahydro-1,2,4-triazine--hydrogen bromide (1/1)
Database identifiers
- CAS
22187-44-6- PubChem CID
- 90749
- DTXSID
DTXSID40944838
Properties
Computed structural properties
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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