5-amino-N,N-dimethylpentanamide; oxalic acid

• ChemBase ID: 51130
• Molecular Formular: C9H18N2O5
• Molecular Mass: 234.24962
• Monoisotopic Mass: 234.12157169
• SMILES: C(=O)(C(=O)O)O.C(=O)(N(C)C)CCCCN
• Canonical SMILES: OC(=O)C(=O)O.NCCCCC(=O)N(C)C
• InChI: InChI=1S/C7H16N2O.C2H2O4/c1-9(2)7(10)5-3-4-6-8;3-1(4)2(5)6/h3-6,8H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: BVOSXDAPTCFIJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-N,N-dimethylpentanamide; oxalic acid
• IUPAC Traditional name: 5-amino-N,N-dimethylpentanamide; oxalic acid
• Synonyms: 5-Amino-N,N-dimethylpentanamide oxalic acid salt

Database IDs

• MDL Number: MFCD16090035
• PubChem SID: 162055893
• PubChem CID: 49757601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5518968
• LogD (pH = 7.4): -2.930501
• Log P: -0.53682345
• Molar Refractivity: 41.6744 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%