CAS No.922-54-3,(6R,2S)-Diaminopimelic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	922-54-3
Name:	(6R,2S)-Diaminopimelic acid
Article Data:	32

Formula:	C₇H₁₄N₂O₄
Molecular Weight:	190.199
Synonyms:	Heptanedioicacid, 2,6-diamino-, (R,S)-;Heptanedioic acid, 2,6-diamino-, meso- (8CI);NSC206289;meso-2,6-Diaminopimelic acid;meso-a,a'-Diaminopimelic acid;meso-a,e-Diaminopimelic acid;(2R,6S)-2,6-diaminoheptanedioic acid;heptanedioic acid, 2,6-diamino-, (2R,6S)-;
Density:	1.344 g/cm³
Melting Point:	340-342 °C (decomp)
Boiling Point:	426.7 °C at 760 mmHg
Flash Point:	211.8 °C
PSA:	126.64000
LogP:	0.38110

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Specification

The Heptanedioic acid,2,6-diamino-, (2R,6S)-rel-, with the CAS registry number 922-54-3, has the systematic name and IUPAC name of (2R,6S)-2,6-diaminoheptanedioic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₁₄N₂O₄.

The characteristics of Heptanedioic acid,2,6-diamino-, (2R,6S)-rel- 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.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](N)CCC[C@@H](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)/t4-,5+
(3)InChIKey: GMKMEZVLHJARHF-SYDPRGILBU