Rmi 81,582
Basic information
- CAS
39051-50-8- Standard SMILES
CN(C)CC/C=C1\c2ccccc2C=Nc2ccc(Cl)cc21- InChIKey
KGRYJYZBJQLPFW-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.1236763
Overview
RN given refers to cpd without isomeric designation; structure in first source
Names & identifiers
- Preferred name
- Rmi 81,582
- IUPAC
- (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
- English name
- RMI 81,582
- Molecular formula
- C19H19ClN2
- Molecular weight
- 310.82
Names & synonyms
Rmi 81,58239051-50-8V827DP81XK1-Propanamine, 3-(2-chloro-11H-dibenz(b,e)azepin-11-ylidene)-N,N-dimethyl-RefChem:930806UNII-5QD6M7UPG65QD6M7UPG6Rmi 815822-Chloro-11-(3-dimethylaminopropylidene)morphanthridine, (E)-1-Propanamine, 3-(2-chloro-11H-dibenz(b,E)azepin-11-ylidene)-N,N-dimethyl-, (E)-58441-90-0UNII-V827DP81XK
Show more names
EX-11582A2-Chloro-11-(3-dimethylaminopropylidene)-11H-morphanthridine3-(2-Chloro-11H-dibenz[b,e]azepin-11-ylidene)-N,N-dimethyl-1-propanamine1-Propanamine, 3-(2-chloro-11H-dibenz[b,e]azepin-11-ylidene)-N,N-dimethyl-
2-Chloro-11-(3-dimethylaminopropylidene)morphanthridineRMI-81582 E-ISOMERRMI-81,582 E-ISOMERPDSP1_001611PDSP2_001595EX-11-582AQ27262745(E)-2-chloro-11-(3-dimethylaminopropylidene)morphanthridine
Database identifiers
- CAS
39051-50-8、58441-90-0- PubChem CID
- 6441602
- UNII
- 5QD6M7UPG6
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Boiling point
- 451.3 · 451.3±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 9.29 · 9.29±0.28(Predicted)
- FDA UNII
- 827 DP81XK · V827DP81XK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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