| CAS Number | 5227-52-1 |
| Catalog Number | AG01AK0C |
| Chemical Name | Azepane-2-carboxylic Acid Hydrochloride |
| IUPAC Name | azepane-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H13NO2.ClH/c9-7(10)6-4-2-1-3-5-8-6;/h6,8H,1-5H2,(H,9,10);1H |
| InChI Key | ZLLUTYACBSEHCT-UHFFFAOYSA-N |
| MDL Number | MFCD00457601 |
| Molecular Formula | C7H14ClNO2 |
| Molecular Weight | 179.6446 |
| SMILES | Cl.OC(C1NCCCCC1)=O |
| Synonyms | Azepane-2-carboxylic Acid Hydrochloride,
5227-52-1,
(R)-Azepane-2-carboxylic acid hydrochloride,
(S)-Azepane-2-carboxylic acid hydrochloride,
AC1MCY4I,
123053-42-9,
Cambridge id 5110018,
Azepane-2-carboxylic acid HCl,
DTXSID60385168,
2243501-33-7,
MFCD00457601,
AKOS023833811,
MCULE-7374703751,
NE23216,
EN300-82395,
A58233,
Azepane-2-carboxylic acid hydrochloride, AldrichCPR,
Z1250132361,
CID2827793,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.644g/mol |
| Monoisotopic Mass | 179.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number