CAS No.583-93-7,2,6-DIAMINOPIMELIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	583-93-7
Name:	2,6-DIAMINOPIMELIC ACID
Article Data:	32

Formula:	C₇H₁₄N₂O₄
Molecular Weight:	190.199
Synonyms:	2,6-Diaminoheptanedioicacid;2,6-Diaminopimelic acid;Diaminopimelic acid;NSC 45225;a,a'-Diaminopimelic acid;a,e-Diaminopimelic acid;
EINECS:	209-524-6
Density:	1.344 g/cm³
Melting Point:	295 °C (dec.)(lit.)
Boiling Point:	426.7 °C at 760 mmHg
Flash Point:	211.8 °C
Solubility:	Soluble in water, diluted acids and alkali.
Appearance:	white to beige powder and/or chunks
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	126.64000
LogP:	0.38110

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Specification

The Heptanedioic acid,2,6-diamino-, with the CAS registry number 583-93-7 and EINECS registry number 209-524-6, has the systematic name and IUPAC name of 2,6-diaminoheptanedioic acid. It belongs to the product category of Amino Acids. And the molecular formula of the chemical is C₇H₁₄N₂O₄.

The characteristics of Heptanedioic acid,2,6-diamino- are as followings: (1)ACD/LogP: -1.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.08; (4)ACD/LogD (pH 7.4): -4.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 59.08 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 44.59 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 17.67×10^-24cm³; (17)Surface Tension: 68.6 dyne/cm; (18)Density: 1.344 g/cm³; (19)Flash Point: 211.8 °C; (20)Enthalpy of Vaporization: 74.74 kJ/mol; (21)Boiling Point: 426.7 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-08 mmHg at 25°C.

Preparation of Heptanedioic acid,2,6-diamino-: This chemical can be prepared by 5,5'-propane-1,3-diyl-bis-imidazolidine-2,4-dione. The reaction will need reagent aq. HBr(48%, d=1.49). The reaction time is 36 hours with heating, and the yield is about 70%.

Uses of Heptanedioic acid,2,6-diamino-: It can be used to produce piperidine-2,6-dicarboxylic acid and piperidine-2r,6c-dicarboxylic acid. This reaction will need reagent CdS and NaOH, and the H₂O. The reaction time is 24 hours with temperature of 24.9°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)CCCC(N)C(=O)O
(2)InChI: InChI=1/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)
(3)InChIKey: GMKMEZVLHJARHF-UHFFFAOYAF