Cas no 21623-11-0 (2-Buten-1-ol,3-methyl-4-(1H-purin-6-ylamino)-, (2E)- (9CI))
21623-11-0 structure
Product Name:2-Buten-1-ol,3-methyl-4-(1H-purin-6-ylamino)-, (2E)- (9CI)
CAS No:21623-11-0
MF:C10H13N5O
MW:219.243120908737
CID:250048
PubChem ID:6449991
Update Time:2025-04-19
2-Buten-1-ol,3-methyl-4-(1H-purin-6-ylamino)-, (2E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Buten-1-ol,3-methyl-4-(1H-purin-6-ylamino)-, (2E)- (9CI)
- (E)-3-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
- 2-Buten-1-ol, 3-methyl-4-(1H-purin-6-ylamino)-, (E)-
- starbld0001259
- Isozeatin
- E-Isozeatin
- (E)-4-((1H-Purin-6-yl)amino)-3-methylbut-2-en-1-ol
- 21623-11-0
-
- Inchi： 1S/C10H13N5O/c1-7(2-3-16)4-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
- InChI Key： GPKGHQSZBVRAPF-FARCUNLSSA-N
- SMILES： OC/C=C(\C)/CNC1=C2C(=NC=N1)N=CN2
Computed Properties
- Exact Mass: 219.11201
- Monoisotopic Mass: 219.11201
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 86.7
- XLogP3: 0.7
Experimental Properties
- Density: 1.388
- Boiling Point: 583.9°Cat760mmHg
- Flash Point: 306.9°C
2-Buten-1-ol,3-methyl-4-(1H-purin-6-ylamino)-, (2E)- (9CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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