Basic information
- CAS
7602-01-9- Standard SMILES
CC(=O)Nc1nc(Cl)c2[nH]cnc2n1- InChIKey
RZZCIBFHZYEENN-UHFFFAOYSA-N- Molecular formula
- C7H6ClN5O
- Average molar mass
- 211.61 g/mol
- Monoisotopic mass
- 211.02608749
Names & identifiers
- Preferred name
- N-(6-chloro-7H-purin-2-yl)acetamide
- IUPAC
- N-(6-chloro-7H-purin-2-yl)acetamide
- English name
- 2-Acetamido-6-chloropurine
- Molecular formula
- C7H6ClN5O
- Molecular weight
- 211.61
Names & synonyms
2-acetamido-6-chloropurineN-(6-chloro-7H-purin-2-yl)acetamide7602-01-9N-(6-chloro-9H-purin-2-yl)acetamideMFCD00823609DTXSID609973662-acetylamino-6-chloro-9h-purineAKOS037621661CS-0067220NCIOpen2_0032792-(ACETYLAMINO)-6-CHLOROPURINEA915106
Show more names
N-(6-chloro-5H-purin-2-yl)acetamideAcetamide, N-(6-chloro-9H-purin-2-yl)-
SCHEMBL5197095SCHEMBL5197101SCHEMBL7807597RZZCIBFHZYEENN-UHFFFAOYSA-N5-Pyrimidinecarbonitrile, 1,6-dihydro-2-(methylthio)-6-oxo-NSC69879NSC-69879AKOS015912768
Database identifiers
- CAS
7602-01-9- PubChem CID
- 6098997
- DTXSID
DTXSID60997366- Nikkaji
- J1.036.794H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 1.8 · 1.80
- pka
- 9.22 · 9.22±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
南京奥生化学技术有限公司+86 (25) 82263158
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海乔木化学科技有限公司021-60451683 15021268886 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
武汉峰耀同辉化学制品有限公司
Related reactions
11 records
Compound notes
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