Diaminopimelic acid
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Diaminopimelic acid
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CAS No:
583-93-7
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Formula:
C7H14N2O4
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Chemical Name:
Diaminopimelic acid
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Synonyms:
Heptanedioic acid,2,6-diamino-;2,6-Diaminoheptanedioic acid;α,ε-Diaminopimelic acid;2,6-Diaminopimelic acid;α,α′-Diaminopimelic acid;Diaminopimelic acid;NSC 45225;2,6-Bis(azaniumyl)heptanedioate;22834-73-7;25057-41-4
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CAS No:
Description
white to beige powder and/or chunks
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 an amino dicarboxylic acid and a lipid. It derives from a pimelic acid. It is a conjugate acid of a 2,6-diaminopimelate(2-).|A diamino derivative of heptanedioic acid with amino groups at C-2 and C-6 and the general formula (COOH)CH(NH2)CH2CH2CH2CH(NH2)(COOH).
Characteristics
127
-1.58
White to beige Powder and/or Chunks
1.3±0.1 g/cm3
>305 °C @ Solvent: Water
426.7±45.0 °C at 760 mmHg
211.8±28.7 °C
1.543
soluble in water, diluted acids and alkali.
Store at RT.
140.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|134.28 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36/37-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:190.20
XLogP3:-5.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:190.09535693
Monoisotopic Mass:190.09535693
Topological Polar Surface Area:127
Heavy Atom Count:13
Complexity:175
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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