Basic information
- CAS
33903-13-8- Standard SMILES
CN(C)c1ccccc1C1CCN2Cc3ccccc3N=C12- InChIKey
SAEPCOKFKLLTED-UHFFFAOYSA-N- Molecular formula
- C19H21N3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.17354768
Overview
structure in first source
Names & identifiers
- Preferred name
- Vasicoline
- IUPAC
- N,N-dimethyl-2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline
- English name
- Vasicoline 291
- Molecular formula
- C19H21N3
- Molecular weight
- 0
Names & synonyms
VasicolineDTXSID60131844033903-13-8RefChem:193789DTXCID901748250Benzenamine, N,N-dimethyl-2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)-N,N-Dimethyl-2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)anilineVasicolinSCHEMBL30637497SAEPCOKFKLLTED-UHFFFAOYSA-NPyrrolo[2,1-b]quinazoline, benzenamine deriv.N,N-Dimethyl-2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)aniline #
Show more names
Vasicoline 2911,2,3,9-Tetrahydro-3-[2-(dimethylamino)phenyl]pyrrolo[2,1-b]quinazolineN,N-Dimethyl-2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)benzenamine
Database identifiers
- CAS
33903-13-8- PubChem CID
- 626005
- DTXSID
DTXSID601318440
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Melting point
- 135 °C · 135°C
Chemistry & industry
Applications
DescriptionAdhatoda vasica also yields this alkaloid which forms colourless crystals from Me2CO-heptane. The ultraviolet spectrum in EtOH has absorption maxima at 222 and 247 mil with a shoulder at 232 Mu.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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