Basic information
- CAS
56046-25-4- Standard SMILES
Nc1nc(Cl)nc2c1ncn2Cc1ccccc1- InChIKey
HMCPIAFQZBMKOP-UHFFFAOYSA-N- Molecular formula
- C12H10ClN5
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.062473
Names & identifiers
- Preferred name
- 9-Benzyl-2-chloro-9h-purin-6-amine
- IUPAC
- 9-benzyl-2-chloropurin-6-amine
- English name
- 9-Benzyl-2-chloro-9H-purin-6-ylamine
- Molecular formula
- C12H10ClN5
- Molecular weight
- 259.69
Names & synonyms
9-benzyl-2-chloro-9h-purin-6-amine56046-25-49-benzyl-2-chloropurin-6-amine9-BENZYL-2-CHLORO-9H-PURIN-6-YLAMINE6-amino-9-benzyl-2-chloropurineMFCD01026101NSC1244649-Benzyl-2-chloroadenine9-benzyl-2-chloro-9H-adenineSCHEMBL2060472DTXSID80298589HMCPIAFQZBMKOP-UHFFFAOYSA-N
Show more names
2-Chloro-9-benzyladenine2-Chloro-9-(phenylmethyl)-9H-purin-6-amine9H-Purin-6-amine, 2-chloro-9-(phenylmethyl)-
AKOS015994971NSC-124464DA-17708SY345315AG-690/37012009
Database identifiers
- CAS
56046-25-4- PubChem CID
- 276482
- DTXSID
DTXSID80298589
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 228 · 228-229℃
- Density
- 1.51 · 1.51
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers8 total
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
87 records
Compound notes
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