| CAS Number | 1158361-97-7 |
| Catalog Number | AG019MWI |
| Chemical Name | [4-(Azepane-1-carbonyl)phenyl]methanamine hydrochloride |
| IUPAC Name | [4-(aminomethyl)phenyl]-(azepan-1-yl)methanone;hydrochloride |
| InChI | InChI=1S/C14H20N2O.ClH/c15-11-12-5-7-13(8-6-12)14(17)16-9-3-1-2-4-10-16;/h5-8H,1-4,9-11,15H2;1H |
| InChI Key | ZGPNUULPMGBPOF-UHFFFAOYSA-N |
| MDL Number | MFCD11099565 |
| Molecular Formula | C14H21ClN2O |
| Molecular Weight | 268.7823 |
| SMILES | Cl.NCC1=CC=C(C(N2CCCCCC2)=O)C=C1 |
| Synonyms | [4-(azepane-1-carbonyl)phenyl]methanamine hydrochloride,
1-[4-(azepan-1-ylcarbonyl)phenyl]methanamine hydrochloride,
1158361-97-7,
AC1Q3D73,
CTK7E4298,
AKOS026851128,
MCULE-7136019700,
NE59058,
EN300-37532,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.785g/mol |
| Monoisotopic Mass | 268.134g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number