| CAS Number | 177408-65-0 |
| Catalog Number | AG00HZPR(AGN-PC-0O50TA) |
| Chemical Name | 8(S)-Amino-7-Oxononanoic Acid (hydrochloride) |
| IUPAC Name | (8S)-8-amino-7-oxononanoic acid |
| InChI | InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1 |
| InChI Key | GUAHPAJOXVYFON-ZETCQYMHSA-N |
| MDL Number | MFCD00269898 |
| Molecular Formula | C9H18ClNO3 |
| Molecular Weight | 223.6971 |
| SMILES | Cl.N[C@H](C(CCCCCC(=O)O)=O)C |
| Synonyms | 7-keto-8-aminopelargonic acid,
8-amino-7-oxononanoic acid,
KAPA cpd,
7-Keto-8-aminopelargonic acid,
KAP,
(8S)-8-amino-7-oxononanoic acid,
177408-65-0,
8-Amino-7-oxopelargonic acid hydrochloride,
AC1L9LMQ,
6-(L-Alanyl)hexanoic acid,
DTXSID60332273,
GUAHPAJOXVYFON-ZETCQYMHSA-N,
ZINC1532843,
DB02274,
FT-0661976,
(8S)-8-Amino-7-oxo-nonanoic Acid Hydrochloride,
80043-EP2305250A1,
KAPA,
8-Amino-7-oxononanoic acid,
CID448124,
AOP,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.239g/mol |
| Monoisotopic Mass | 187.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number