5H-Dibenzo(a,d)cycloheptene-4-methylamine, 10,11-dihydro-N-methyl-5-methylene-
Basic information
- CAS
36065-47-1- Standard SMILES
C=C1c2ccccc2CCc2cccc(CNC)c21- InChIKey
RDPWYSJKXHFDNV-UHFFFAOYSA-N- Molecular formula
- C18H19N
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.15174961
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene-4-methylamine, 10,11-dihydro-N-methyl-5-methylene-
- IUPAC
- N-methyl-1-(2-methylidene-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine
- English name
- 10,11-Dihydro-N-methyl-5-methylene-5H-dibenzo[a,d]cycloheptene-4-methanamine
- Molecular formula
- C18H19N
- Molecular weight
- 249.35
Names & synonyms
BRN 294396036065-47-15H-DIBENZO(a,d)CYCLOHEPTENE-4-METHYLAMINE, 10,11-DIHYDRO-N-METHYL-5-METHYLENE-DTXSID0018964210,11-Dihydro-N-methyl-5-methylene-5H-dibenzo(a,d)cycloheptene-4-methylamineRefChem:305571DTXCID60112133N-Methyl-1-(5-methylidene-10,11-dihydro-5H-dibenzo[a,d][7]annulen-4-yl)methanamine10,11-Dihydro-N-methyl-5-methylen-5H-dibenzocyclohepten-4-methylamin10,11-Dihydro-N-methyl-5-methylene-5H-dibenzo[a,d]cycloheptene-4-methanamine5H-Dibenzo[a,d]cycloheptene-4-methanamine, 10,11-dihydro-N-methyl-5-methylene-
Database identifiers
- CAS
36065-47-1- PubChem CID
- 37357
- DTXSID
DTXSID00189642- Nikkaji
- J42.172C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 381.7 · 381.7±21.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 9.57 · 9.57±0.10(Predicted)
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Compound notes
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