| CAS Number | 188192-55-4 |
| Catalog Number | AG00AOTA(AGN-PC-07A8ZI) |
| Chemical Name | 1-methylazepan-3-amine |
| IUPAC Name | 1-methylazepan-3-amine |
| InChI | InChI=1S/C7H16N2/c1-9-5-3-2-4-7(8)6-9/h7H,2-6,8H2,1H3 |
| InChI Key | SAQGERPDKPUNKQ-UHFFFAOYSA-N |
| MDL Number | MFCD09263803 |
| Molecular Formula | C7H16N2 |
| Molecular Weight | 128.2153 |
| SMILES | CN1CCCCC(C1)N |
| Synonyms | 1-METHYL-3-AZEPANAMINE,
188192-55-4,
1H-Azepin-3-amine,hexahydro-1-methyl,
1-METHYLAZEPAN-3-AMINE,
SCHEMBL4701934,
ZX-CM008672,
FCH867971,
MFCD09263803,
AKOS006330126,
MB07245,
ACM188192554,
Y-5267,
1H-Azepin-3-amine, hexahydro-1-methyl- (9CI),
|
| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.219g/mol |
| Monoisotopic Mass | 128.131g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number