| CAS Number | 77420-98-5 |
| Catalog Number | AG008MY9(AGN-PC-00JWE9) |
| Chemical Name | Octanoic acid, 8-amino-, methyl ester, hydrochloride |
| IUPAC Name | methyl 8-aminooctanoate;hydrochloride |
| InChI | InChI=1S/C9H19NO2.ClH/c1-12-9(11)7-5-3-2-4-6-8-10;/h2-8,10H2,1H3;1H |
| InChI Key | DNMCSEZPFDMEHC-UHFFFAOYSA-N |
| MDL Number | MFCD22375357 |
| Molecular Formula | C9H20ClNO2 |
| Molecular Weight | 209.7136 |
| SMILES | O=C(OC)CCCCCCCN.[H]Cl |
| Synonyms | methyl 8-aminooctanoate hydrochloride,
77420-98-5,
8-aminocaprylic acid methyl ester hydrochloride,
Octanoic acid, 8-amino-, methyl ester, hydrochloride,
SCHEMBL1233292,
CTK2G6450,
DTXSID50512163,
DNMCSEZPFDMEHC-UHFFFAOYSA-N,
AKOS027324459,
MCULE-5266446188,
NE33361,
RP26527,
8-Amino-octanoic acid methyl ester hydrochloride,
8-aminooctanoic acid, methyl ester hydrochloride,
Methyl 8-aminooctanoate--hydrogen chloride (1/1),
Z1416203196,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.714g/mol |
| Monoisotopic Mass | 209.118g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number