| CAS Number | 858343-14-3 |
| Catalog Number | AG00J3DO |
| Chemical Name | 4-(Azepan-1-yl)aniline dihydrochloride |
| IUPAC Name | 4-(azepan-1-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C12H18N2.2ClH/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14;;/h5-8H,1-4,9-10,13H2;2*1H |
| InChI Key | MRAXJEMIIZLVLR-UHFFFAOYSA-N |
| MDL Number | MFCD09431467 |
| Molecular Formula | C12H20Cl2N2 |
| Molecular Weight | 263.2066 |
| SMILES | Cl.Cl.NC1=CC=C(N2CCCCCC2)C=C1 |
| Synonyms | 4-azepan-1-ylaniline dihydrochloride,
4-(azepan-1-yl)aniline dihydrochloride,
[4-(1-Azepanyl)phenyl]amine dihydrochloride,
858343-14-3,
CTK7D7553,
BB_SC-10810,
ZX-CM014483,
MFCD09431467,
4-Azepan-1-ylaniline di hydrochloride,
AKOS004107408,
MCULE-3529757276,
TR-053786,
4-AZEPAN-1-YL-PHENYLAMINE DIHYDROCHLORIDE,
57356-18-0,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.206g/mol |
| Monoisotopic Mass | 262.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number