Cas no 21613-86-5 (6H-Purin-6-one,2-amino-1,9-dihydro-8-(hydroxymethyl)-)
21613-86-5 structure
Product Name:6H-Purin-6-one,2-amino-1,9-dihydro-8-(hydroxymethyl)-
CAS No:21613-86-5
MF:C6H7N5O2
MW:181.152079820633
CID:250000
PubChem ID:135750015
Update Time:2025-04-19
6H-Purin-6-one,2-amino-1,9-dihydro-8-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,2-amino-1,9-dihydro-8-(hydroxymethyl)-
- 2-AMINO-6-HYDROXY-PURINE-8-METHANOL
- 2-amino-8-(hydroxymethyl)-3,7-dihydropurin-6-one
- 2-Amino-6-hydroxymethyl-purine-8-methanol
- 2-amino-8-hydroxymethyl-1,7(9)-dihydro-purin-6-one
- 6H-Purin-6-one,2-amino-1,7-dihydro-8-(hydroxymethyl)-(9CI)
- 6H-Purin-6-one,2-amino-1,9-dihydro-8-(hydroxymethyl)
- 8-Hydroxymethyl-guanin
- Purine-8-methanol,2-amino-6-hydroxy-(8CI)
- FT-0748390
- 21613-86-5
- DTXSID90628570
- AKOS006274783
- 2-Amino-8-(hydroxymethyl)-3,7-dihydro-6H-purin-6-one
- 2-amino-8-(hydroxymethyl)-1, 7-dihydropurin-6-one
- SCHEMBL14079841
- 2-amino-8-(hydroxymethyl)-6,7-dihydro-3H-purin-6-one
- 2-Amino-8-(hydroxymethyl)-3H-purin-6(7H)-one
- 2-amino-8-(hydroxymethyl)-1,7-dihydropurin-6-one
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- Inchi： 1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)8-2(1-12)9-4/h12H,1H2,(H4,7,8,9,10,11,13)
- InChI Key： SMIUVAGMIHZSBT-UHFFFAOYSA-N
- SMILES： OCC1=NC2=C(C(NC(N)=N2)=O)N1
Computed Properties
- Exact Mass: 181.06000
- Monoisotopic Mass: 181.05997448g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.9
- Topological Polar Surface Area: 116?2
Experimental Properties
- PSA: 120.68000
- LogP: -0.69810
6H-Purin-6-one,2-amino-1,9-dihydro-8-(hydroxymethyl)- 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%
6H-Purin-6-one,2-amino-1,9-dihydro-8-(hydroxymethyl)- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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