Basic information
- CAS
17121-19-6- Standard SMILES
NC(CCCC(N)C(=O)O)C(=O)O- InChIKey
GMKMEZVLHJARHF-UHFFFAOYSA-N- Molecular formula
- C7H14N2O4
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.09535693
Overview
2,6-diaminopimelic acid is the amino dicarboxylic acid that is heptanedioic acid with amino substituents at C-2 and C-6. It has a role as an Escherichia coli metabolite. It is a dicarboxylic fatty acid and an amino dicarboxylic acid. It is functionally related to a pimelic acid. It is a conjugate acid of a 2,6-diaminopimelate(2-).
Names & identifiers
- Preferred name
- Diaminopimelic Acid
- IUPAC
- 2,6-diaminoheptanedioic acid
- English name
- DD-Dap
- Molecular formula
- C7H14N2O4
- Molecular weight
- 190.2
Names & synonyms
2,6-Diaminopimelic acid583-93-7DIAMINOPIMELIC ACIDCHEBI:23673Acid, DiaminopimelicRefChem:5862142,6 Diaminopimelic AcidAcid, 2,6-Diaminopimelic209-524-62,6-Diaminoheptanedioic acidHeptanedioic acid, 2,6-diamino-MFCD00002637
Show more names
DD-Dap(2R,6R)-2,6-Diaminoheptanedioic acidDD-2,6-Diaminopimelic acid >=95.0% (TLC)Heptanedioic acid, 2,6-diamino-, (2R,6R)-
1,5-Diaminoheptanedioic Aciddl-2,6-Diaminoheptanedioic acid2,6-diaminoheptanoic AcidL,L-A2pmM-DAPSCHEMBL29289alpha,epsilon-diaminopimelic acidDTXSID10862237
Database identifiers
- CAS
17121-19-6、583-93-7、922-54-3- PubChem CID
- 865
- DTXSID
DTXSID10862237- ChEBI
CHEBI:23673- EC Number
- 209-524-6
- Nikkaji
- J79.675A
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
Physical DescriptionPowder; [Alfa Aesar MSDS]
Collision Cross Section140.8 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Boiling point
- 426.7 · 426.7±45.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.24(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Additional notes
DefinitionChEBI: DD-2,6-diaminopimelic acid is a 2,6-diaminopimelic acid in which both chiral centres have R configuration.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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