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| CAS No.: | 14289-34-0 |
|---|---|
| Name: | (6S,2S)-Diaminopimelic acid |
| Molecular Structure: | |
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| Formula: | C7H14N2O4 |
| Molecular Weight: | 190.199 |
| Synonyms: | Heptanedioicacid, 2,6-diamino-, [S-(R*,R*)]- (9CI);(S,S)-Diaminopimelate;L,L-2,6-Diaminopimelic acid;L,L-Diaminopimelic acid;L,L-a,e-diaminopimelic acid;L-2,6-Diaminopimelic acid;L-Diaminopimelate;L-Diaminopimelic acid;L-threo-2,6-Diaminopimelic acid;L-a,e-Diaminopimelic acid; |
| EINECS: | 231-783-9 |
| Density: | 1.344 g/cm3 |
| Melting Point: | 309-312 °C |
| 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 (6S,2S)-Diaminopimelic acid is an organic compound with the formula C7H14N2O4. The IUPAC name of this chemical is (2S,6S)-2,6-diaminoheptanedioic acid. With the CAS registry number 14289-34-0, it is also named as DL-2,6-Diaminopimelic acid.
Physical properties about (6S,2S)-Diaminopimelic acid are: (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.
You can still convert the following datas into 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
(4)Std. 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)
(5)Std. InChIKey: GMKMEZVLHJARHF-UHFFFAOYSA-N