Cas no 3734-04-1 (Irehdiamine B)
Irehdiamine B structure
Product Name:Irehdiamine B
CAS No:3734-04-1
MF:C22H38N2
MW:330.55052614212
CID:306384
Update Time:2024-02-29
Irehdiamine B Chemical and Physical Properties
Names and Identifiers
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- Pregn-5-ene-3,20-diamine,N3-methyl-, (3b,20S)-(9CI)
- 1H-Naphth[2',1':4,5]indeno[1,7a-c]pyrrole,9-amino-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-hexadecahydro-2,3,11a-trimethyl-(6CI); Irehdiamine B (7CI); Pregn-5-ene-3b,20a-diamine, N3-methyl- (8CI); Kurchamin; Kurchamine
- Irehdiamine B
- Kurchamine
- Kurchamin
- MTTRNPRLWQGKCB-KUJPYBTHSA-N
-
- Inchi： 1S/C22H38N2/c1-14(23)18-7-8-19-17-6-5-15-13-16(24-4)9-11-21(15,2)20(17)10-12-22(18,19)3/h5,14,16-20,24H,6-13,23H2,1-4H3/t14-,16-,17-,18+,19-,20-,21-,22+/m0/s1
- InChI Key： MTTRNPRLWQGKCB-KUJPYBTHSA-N
- SMILES： N[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)NC
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 526
- XLogP3: 4.5
- Topological Polar Surface Area: 38
Irehdiamine B Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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