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| CAS No.: | 627-76-9 |
|---|---|
| Name: | DL-ALPHA-AMINOPIMELIC ACID |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C7H13NO4 |
| Molecular Weight: | 175.185 |
| Synonyms: | Heptanedioic acid, 2-amino-, DL- (8CI);DL-2-Aminoheptanedioic acid;DL-2-Aminopimelic acid; |
| EINECS: | 211-011-7 |
| Density: | 1.275 g/cm3 |
| Melting Point: | 223 °C (dec.)(lit.) |
| Boiling Point: | 378.5 °C at 760 mmHg |
| Flash Point: | 182.7 °C |
| PSA: | 100.62000 |
| LogP: | 0.74360 |
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Specification
The Heptanedioic acid,2-amino-, with the CAS registry number 627-76-9 and EINECS registry number 211-011-7, has the systematic name and IUPAC name of 2-aminoheptanedioic acid. It belongs to the following product categories: Amino Acids; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. And the molecular formula of the chemical is C7H13NO4.
The characteristics of Heptanedioic acid,2-amino- are as followings: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.79; (4)ACD/LogD (pH 7.4): -4.15; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 41.1 cm3; (15)Molar Volume: 137.3 cm3; (16)Polarizability: 16.29×10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.275 g/cm3; (19)Flash Point: 182.7 °C; (20)Enthalpy of Vaporization: 68.78 kJ/mol; (21)Boiling Point: 378.5 °C at 760 mmHg; (22)Vapour Pressure: 8.95E-07 mmHg at 25°C.
Uses of Heptanedioic acid,2-amino-: It can react with methanol to produce 2-amino-heptanedioic acid dimethyl ester; hydrochloride. This reaction will need reagent HCl. The reaction time is 12 hours, and the yield is about 70%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCCC(N)C(=O)O
(2)InChI: InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)
(3)InChIKey: JUQLUIFNNFIIKC-UHFFFAOYAX