| CAS Number | 949977-34-8 |
| Catalog Number | AG019PKA |
| Chemical Name | 2-[(piperazin-1-yl)methyl]quinazolin-4-amine |
| IUPAC Name | 2-(piperazin-1-ylmethyl)quinazolin-4-amine |
| InChI | InChI=1S/C13H17N5/c14-13-10-3-1-2-4-11(10)16-12(17-13)9-18-7-5-15-6-8-18/h1-4,15H,5-9H2,(H2,14,16,17) |
| InChI Key | XNNKGPVDSHYBLT-UHFFFAOYSA-N |
| MDL Number | MFCD09802018 |
| Molecular Formula | C13H17N5 |
| Molecular Weight | 243.3076 |
| SMILES | NC1=C2C(C=CC=C2)=NC(CN2CCNCC2)=N1 |
| Synonyms | 2-(piperazin-1-ylmethyl)quinazolin-4-amine,
949977-34-8,
AC1Q51BL,
SCHEMBL20181158,
CTK7E0718,
ZINC22921426,
AKOS009086911,
MCULE-7702021707,
NE31048,
EN300-24058,
2-[(piperazin-1-yl)methyl]quinazolin-4-amine,
Z235352021,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.314g/mol |
| Monoisotopic Mass | 243.148g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number