Cas no 104715-57-3 (2-Buten-1-ol,4-(6-amino-9H-purin-9-yl)-, (2E)-)
104715-57-3 structure
Product Name:2-Buten-1-ol,4-(6-amino-9H-purin-9-yl)-, (2E)-
CAS No:104715-57-3
MF:C9H11N5O
MW:205.216540575027
CID:164102
PubChem ID:6439007
Update Time:2025-04-19
2-Buten-1-ol,4-(6-amino-9H-purin-9-yl)-, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Buten-1-ol,4-(6-amino-9H-purin-9-yl)-, (2E)-
- 2-Buten-1-ol, 4-(6-amino-9H-purin-9-yl)-, (E)-
- 4-(6-aminopurin-9-yl)but-2-en-1-ol
- 9-(trans-4-hydroxy-2-buten-1-yl)adenine
- ACMC-1BSN4
- AG-D-17309
- CTK4A3253
- 9-(4-hydroxy-2-buten-1-yl)adenine
- 4-(6-Amino-purin-9-yl)-but-2-en-1-ol
- BDBM50011180
- CHEMBL49917
- (E)-4-(6-aminopurin-9-yl)but-2-en-1-ol
- 2-Buten-1-ol, 4-(6-amino-9H-purin-9-yl)-, (2E)-
- 104715-57-3
-
- Inchi： 1S/C9H11N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h1-2,5-6,15H,3-4H2,(H2,10,11,12)/b2-1+
- InChI Key： DYLIWHYUXAJDOJ-OWOJBTEDSA-N
- SMILES： OC/C=C/CN1C=NC2=C(N)N=CN=C12
Computed Properties
- Exact Mass: 205.09600
- Monoisotopic Mass: 205.09636
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 235
- 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
- XLogP3: _0.4
- Topological Polar Surface Area: 89.8
Experimental Properties
- Density: 1.47
- Boiling Point: 487.5°Cat760mmHg
- Flash Point: 248.6°C
- Refractive Index: 1.715
- PSA: 89.85000
- LogP: 0.53820
2-Buten-1-ol,4-(6-amino-9H-purin-9-yl)-, (2E)- Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-Buten-1-ol,4-(6-amino-9H-purin-9-yl)-, (2E)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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