| CAS Number | 1092287-76-7 |
| Catalog Number | AG01A9I7(AGN-PC-0WOACW) |
| Chemical Name | 1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}propan-1-amine |
| IUPAC Name | 1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-1-amine |
| InChI | InChI=1S/C10H18N4/c1-2-8(11)10-13-12-9-6-4-3-5-7-14(9)10/h8H,2-7,11H2,1H3 |
| InChI Key | VYBXHVUUKWBHOU-UHFFFAOYSA-N |
| MDL Number | MFCD11108300 |
| Molecular Formula | C10H18N4 |
| Molecular Weight | 194.2767 |
| SMILES | CCC(C1N2C(CCCCC2)=NN=1)N |
| Synonyms | 1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}propan-1-amine,
1092287-76-7,
AC1Q2SJ6,
AKOS009509217,
NE17374,
EN300-65175,
1-(5h,6h,7h,8h,9h-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-1-amine,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.282g/mol |
| Monoisotopic Mass | 194.153g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number