Cas no 29215-67-6 (1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,1,2,3,4,5,6-hexahydro-3-(2-hydroxypropyl)-)
![1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,1,2,3,4,5,6-hexahydro-3-(2-hydroxypropyl)- structure](https://ossimg.kuujia.com/scimg/29500/29215-67-6x500.png)
29215-67-6 structure
Product Name:1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,1,2,3,4,5,6-hexahydro-3-(2-hydroxypropyl)-
CAS No:29215-67-6
MF:C14H20N2O2
MW:248.320803642273
CID:240292
PubChem ID:3904034
Update Time:2025-04-19
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,1,2,3,4,5,6-hexahydro-3-(2-hydroxypropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,1,2,3,4,5,6-hexahydro-3-(2-hydroxypropyl)-
- 12-(2-Hydroxypropyl)-cytisine
- HMS1535L16
- Oprea1_744889
- 11-(2-hydroxypropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
- BRD-A85917098-001-01-1
- FT-0701547
- DTXSID60397867
- 29215-67-6
- TimTec1_000610
- AKOS024274887
- N-(2-hydroxypropyl)cytisine
-
- Inchi： 1S/C14H20N2O2/c1-10(17)6-15-7-11-5-12(9-15)13-3-2-4-14(18)16(13)8-11/h2-4,10-12,17H,5-9H2,1H3
- InChI Key： HFNGCQUAFFMFBG-UHFFFAOYSA-N
- SMILES： OC(C)CN1CC2C3=CC=CC(N3CC(C1)C2)=O
Computed Properties
- Exact Mass: 248.15200
- Monoisotopic Mass: 248.152477885g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 416
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- PSA: 45.47000
- LogP: 0.58610
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,1,2,3,4,5,6-hexahydro-3-(2-hydroxypropyl)- Related Literature
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
29215-67-6 (1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,1,2,3,4,5,6-hexahydro-3-(2-hydroxypropyl)-) Related Products
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