Basic information
- CAS
67195-26-0- Standard SMILES
CC(C=C1c2ccccc2CCc2ccccc21)CN(C)C- InChIKey
KTUQEGKICBXSBN-UHFFFAOYSA-N- Molecular formula
- C21H25N
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.1986998
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-beta,N,N-trimethyl-
- IUPAC
- N,N,2-trimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
- English name
- 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-2,N,N-trimethyl-1-propanamine
- Molecular formula
- C21H25N
- Molecular weight
- 291.43
Names & synonyms
BRN 274395010,11-Dihydro-beta,N,N-trimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine67195-26-05H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-beta,N,N-trimethyl-RefChem:305594DTXSID709862213-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N,2-trimethylpropan-1-amine3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-2,N,N-trimethyl-1-propanamine1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N,2-trimethyl-
Database identifiers
- CAS
67195-26-0- PubChem CID
- 49403
- DTXSID
DTXSID70986221- Nikkaji
- J72.826H
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 407.1 · 407.1±24.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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