2,6-diaminoheptanedioic acid

• ChemBase ID: 22220
• Molecular Formular: C7H14N2O4
• Molecular Mass: 190.19706
• Monoisotopic Mass: 190.09535694
• SMILES: C(CCCC(C(=O)O)N)(C(=O)O)N
• Canonical SMILES: NC(C(=O)O)CCCC(C(=O)O)N
• InChI: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
• InChIKey: GMKMEZVLHJARHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diaminoheptanedioic acid
• IUPAC Traditional name: Dpm; 2,6-diaminopimelic acid
• Synonyms: 2,6-Diaminopimelic acid; 2,6-diaminoheptanedioic acid; DL-2,6-Diaminoheptanedioic acid; DL-α,epsilon-DIAMINOPIMELIC ACID; 2,6-Diaminoheptanedioic acid; 2,6-Diaminopimelic acid; 2,6-二氨基蒲桃酸; 2,6-二氨基庚二酸

Database IDs

• CAS Number: 583-93-7
• EC Number: 209-524-6
• MDL Number: MFCD00002637
• Beilstein Number: 1787719
• PubChem SID: 24859893; 160985527; 24893417
• PubChem CID: 865

CALCULATED PROPERTIES

• Acid pKa: 1.847075
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -5.5455008
• LogD (pH = 7.4): -5.5511074
• Log P: -5.545368
• Molar Refractivity: 43.6394 cm^3
• Polarizability: 17.83188 Å^3
• Polar Surface Area: 126.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~295 °C (dec.)(lit.); >300°C; >300°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~98-99%; ≥97.0% (NT); ≥98% (TLC); 96%; 97%
• Linear Formula: HOOCCH(NH2)(CH2)3CH(NH2)COOH
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 02195135

Crystalline
Purity: ~98-99%
This is a mixture of LL, DD and meso-isomers

Sigma Aldrich - D1377

Other Notes
Mixture of LL-, DD- and meso-isomers.
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D1377.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Biochem/physiol Actions
2,6-Diaminopimelic acid, a diamino acid, is a constituent or proteoglycans found in the cell walls of various bacteria. 2,6-Diaminopimelic acid may be used as a reference compound for analysis of bacteria proteoglycan types.

Sigma Aldrich - 33240

Packaging
1, 5 g in glass bottle