| CAS Number | 1071763-85-3 |
| Catalog Number | AG00HAXV(AGN-PC-0WBPPW) |
| Chemical Name | 6,7,8,9-TEtrahydro-5h-cyclohepta[d]pyrimidin-2-amine |
| IUPAC Name | 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine |
| InChI | InChI=1S/C9H13N3/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5H2,(H2,10,11,12) |
| InChI Key | WRTPXRVXSLDXBJ-UHFFFAOYSA-N |
| MDL Number | MFCD18361690 |
| Molecular Formula | C9H13N3 |
| Molecular Weight | 163.2196 |
| SMILES | NC1=NC2=C(CCCCC2)C=N1 |
| Synonyms | 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine,
1071763-85-3,
SCHEMBL4115818,
ALBB-030349,
MFCD18361690,
STL436370,
ZINC72417105,
AKOS012856490,
MCULE-8207821294,
5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-2-amine,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.224g/mol |
| Monoisotopic Mass | 163.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number