Cas no 80152-02-9 (1H-Pyrrolo[4,3,2-ef][2]benzazepine,3,4,5,6-tetrahydro-6-(2-methyl-1-propen-1-yl)-, (6R)-)
![1H-Pyrrolo[4,3,2-ef][2]benzazepine,3,4,5,6-tetrahydro-6-(2-methyl-1-propen-1-yl)-, (6R)- structure](https://ossimg.kuujia.com/scimg/80500/80152-02-9x500.png)
80152-02-9 structure
Product Name:1H-Pyrrolo[4,3,2-ef][2]benzazepine,3,4,5,6-tetrahydro-6-(2-methyl-1-propen-1-yl)-, (6R)-
CAS No:80152-02-9
MF:C15H18N2
MW:226.316823482513
CID:728224
PubChem ID:157605
Update Time:2025-04-19
1H-Pyrrolo[4,3,2-ef][2]benzazepine,3,4,5,6-tetrahydro-6-(2-methyl-1-propen-1-yl)-, (6R)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[4,3,2-ef][2]benzazepine,3,4,5,6-tetrahydro-6-(2-methyl-1-propen-1-yl)-, (6R)-
- (R)-(-)-aurantioclavine
- 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl) -, (-)-
- Aurantioclavine
- 6-(2-methylprop-1-en-1-yl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole
- 80152-02-9
- 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-(2-methyl-1-propenyl)-, (-)-
- SCHEMBL19586990
- 9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
- DTXSID001001005
-
- Inchi： 1S/C15H18N2/c1-10(2)8-14-12-4-3-5-13-15(12)11(9-17-13)6-7-16-14/h3-5,8-9,14,16-17H,6-7H2,1-2H3
- InChI Key： ZTSJEOWZNBPNQS-UHFFFAOYSA-N
- SMILES： N1CCC2=CNC3=CC=CC(=C23)C1/C=C(\C)/C
Computed Properties
- Exact Mass: 226.147
- Monoisotopic Mass: 226.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.2
- Topological Polar Surface Area: 27.8?2
Experimental Properties
- Density: 1.149
- Boiling Point: 405.3°C at 760 mmHg
- Flash Point: 198.9°C
- Refractive Index: 1.678
1H-Pyrrolo[4,3,2-ef][2]benzazepine,3,4,5,6-tetrahydro-6-(2-methyl-1-propen-1-yl)-, (6R)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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