| CAS Number | 496955-47-6 |
| Catalog Number | AG019F28(AGN-PC-0OB1AH) |
| Chemical Name | N,N-Dibenzyl-2-chloro-9H-purin-6-amine |
| IUPAC Name | N,N-dibenzyl-2-chloro-7H-purin-6-amine |
| InChI | InChI=1S/C19H16ClN5/c20-19-23-17-16(21-13-22-17)18(24-19)25(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,22,23,24) |
| InChI Key | WWLHJEMGMGWORO-UHFFFAOYSA-N |
| MDL Number | MFCD31555266 |
| Molecular Formula | C19H16ClN5 |
| Molecular Weight | 349.8168 |
| SMILES | Clc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc[nH]c2n1 |
| Synonyms | N,N-DIBENZYL-2-CHLORO-9H-PURIN-6-AMINE,
496955-47-6,
SCHEMBL13864135,
ZINC35966056,
AS-63796,
CS-0038667,
N,N-dibenzyl-2-chloro-9H-purin-6-amine(WXC06179),
N,N-Dibenzyl-2-chloro-9H-purin-6-amine@CRLF496955-47-6,
CID11631650,
N,N-dibenzyl-2-chloro-7H-purin-6-amine,
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| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.109423g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.8g/mol |
| Monoisotopic Mass | 349.109423g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number