| CAS Number | 1042560-53-1 |
| Catalog Number | AG019UXZ |
| Chemical Name | [6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methanamine |
| IUPAC Name | [6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methanamine |
| InChI | InChI=1S/C12H20N4/c1-15-5-2-6-16(8-7-15)12-4-3-11(9-13)10-14-12/h3-4,10H,2,5-9,13H2,1H3 |
| InChI Key | POYAHDAVWOUPCC-UHFFFAOYSA-N |
| MDL Number | MFCD11168535 |
| Molecular Formula | C12H20N4 |
| Molecular Weight | 220.3140 |
| SMILES | CN1CCN(C2=NC=C(CN)C=C2)CCC1 |
| Synonyms | [6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methanamine,
1042560-53-1,
AC1Q3ZR2,
SCHEMBL1461688,
ZINC20217471,
AKOS008112707,
MCULE-1829546218,
NE27780,
EN300-43170,
Z839522492,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.32g/mol |
| Monoisotopic Mass | 220.169g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number