| CAS Number | 1269384-64-6 |
| Catalog Number | AG00J3DC |
| Chemical Name | [2-(1-azepanyl)phenyl]amine dihydrochloride |
| IUPAC Name | 2-(azepan-1-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C12H18N2.2ClH/c13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-14;;/h3-4,7-8H,1-2,5-6,9-10,13H2;2*1H |
| InChI Key | IBAFBRXHBDXNOP-UHFFFAOYSA-N |
| MDL Number | MFCD13186339 |
| Molecular Formula | C12H20Cl2N2 |
| Molecular Weight | 263.2066 |
| SMILES | N1(CCCCCC1)C1C=CC=CC=1N.Cl.Cl |
| Synonyms | [2-(1-Azepanyl)phenyl]amine dihydrochloride,
1269384-64-6,
2-(AZEPAN-1-YL)ANILINE DIHYDROCHLORIDE,
ZX-CM014492,
MFCD13186339,
AKOS030631310,
MCULE-9308067457,
|
| Complexity | 162 |
| 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 |
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Certificate of Analysis
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