Cas no 161503-24-8 (1H-5,6,8b-Triazaacenaphthylene-3-carboxylicacid, 7-heptyl-2,4,5,7,8,8a-hexahydro-4-pentyl-,4-[(aminoiminomethyl)amino]butyl ester, (4R,7S,8aR)-)
![1H-5,6,8b-Triazaacenaphthylene-3-carboxylicacid, 7-heptyl-2,4,5,7,8,8a-hexahydro-4-pentyl-,4-[(aminoiminomethyl)amino]butyl ester, (4R,7S,8aR)- structure](https://ossimg.kuujia.com/scimg/162000/161503-24-8x500.png)
161503-24-8 structure
Product Name:1H-5,6,8b-Triazaacenaphthylene-3-carboxylicacid, 7-heptyl-2,4,5,7,8,8a-hexahydro-4-pentyl-,4-[(aminoiminomethyl)amino]butyl ester, (4R,7S,8aR)-
CAS No:161503-24-8
MF:C27H48N6O2
MW:488.70902633667
CID:165502
PubChem ID:460275
Update Time:2025-04-19
1H-5,6,8b-Triazaacenaphthylene-3-carboxylicacid, 7-heptyl-2,4,5,7,8,8a-hexahydro-4-pentyl-,4-[(aminoiminomethyl)amino]butyl ester, (4R,7S,8aR)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-5,6,8b-Triazaacenaphthylene-3-carboxylicacid, 7-heptyl-2,4,5,7,8,8a-hexahydro-4-pentyl-,4-[(aminoiminomethyl)amino]butyl ester, (4R,7S,8aR)-
- 1H-5,6,8b-Triazaacenaphthylene-3-carboxylicacid, 7-heptyl-2,4,5,7,8,8a-hexahydro-4-pentyl-,4-[(aminoiminomethyl)amino]butyl e
- Batzelladine C
- 4-guanidinobutyl heptyl(pentyl)[?]carboxylate
- 161503-24-8
- (+)-Batzelladine C
-
- Inchi： 1S/C27H48N6O2/c1-3-5-7-8-10-13-20-19-21-15-16-23-24(25(34)35-18-12-11-17-30-26(28)29)22(14-9-6-4-2)32-27(31-20)33(21)23/h20-22H,3-19H2,1-2H3,(H,31,32)(H4,28,29,30)/t20-,21?,22?/m0/s1
- InChI Key： JHUNDPSWNACCLC-HWELCPFYSA-N
- SMILES： O(CCCC/N=C(\N)/N)C(C1C(CCCCC)N=C2N[C@@H](CCCCCCC)CC3CCC=1N32)=O
Computed Properties
- Exact Mass: 488.38424
- Monoisotopic Mass: 488.384
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 35
- Rotatable Bond Count: 17
- Complexity: 774
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.21
- Boiling Point: 626°Cat760mmHg
- Flash Point: 332.4°C
- Refractive Index: 1.603
- PSA: 118.33
1H-5,6,8b-Triazaacenaphthylene-3-carboxylicacid, 7-heptyl-2,4,5,7,8,8a-hexahydro-4-pentyl-,4-[(aminoiminomethyl)amino]butyl ester, (4R,7S,8aR)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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