bmse000827 DL-2-Aminocaprylic acid at BMRB

DL-2-Aminocaprylic acid

DL-2-Aminocaprylic acid; DL-2-Aminooctanoic acid; 2-Aminooctanoic acid; 2-Amino-DL-caprylic acid; DL-alpha-Aminocaprylic acid; (+-)-2-Aminooctanoic acid; dl-.alpha.-Amino-n-caprylic acid; Caprylic acid, alpha-amino-; Octanoic acid, 2-amino-; dl-2-Aminocaprylic acid

Molecular Formula: C8 H17 N O2
Natural Isotopic Abundance Mass: 159.22608
Mono-Isotopic Molecular Masses: C12N14: 159.1259287951; C13N14: 167.1527674975; C12N15: 160.1229636883; C13N15: 168.1498023907

DL-2-Aminocaprylic acid

InCHi String:
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

canonical and isomeric SMILES:
CCCCCCC(C(=O)O)N

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-aminooctanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-aminocaprylic acid

PUBCHEM iupac SYSTEMATIC NAME
2-azanyloctanoic acid

PubChem Substance (SID):   126596867   24853027   85291379
PubChem Compound (CID):   69522
KEGG: Compound ID   n/a
CAS Registry IDs:   644-90-6   2187-07-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 644-90-6   MDL number MFCD00008102   EC Number 211-424-2   Sigma-Aldrich 217700_ALDRICH   EINECS 211-424-2   LipidMAPS LMFA01100056   ChemDB 6680153   ChemIDplus 000644906   NIST Chemistry WebBook 2226804492

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.