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| CAS No.: | 78966-69-5 |
|---|---|
| Name: | DL-2-Amino-7-phosphonoheptanoic acid |
| Molecular Structure: | |
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| Formula: | C7H16NO5P |
| Molecular Weight: | 225.18 |
| Synonyms: | Heptanoic acid, 2-amino-7-phosphono-, (+-)-;(2S)-2-azaniumyl-7-phosphonato-heptanoate;(2R)-2-azaniumyl-7-phosphonato-heptanoate; |
| Density: | 1.39 g/cm3 |
| Boiling Point: | 480.1 °C at 760 mmHg |
| Flash Point: | 244.2 °C |
| Safety: | 22-24/25 |
| PSA: | 130.66000 |
| LogP: | 0.83670 |
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Specification
The CAS registry number of DL-2-Amino-7-phosphonoheptanoic acid is 78966-69-5. It belongs to the product category of Glutamate receptor. This chemical is also named as Heptanoic acid, 2-amino-7-phosphono-. In addition, its molecular formula is C7H16NO5P and molecular weight is 225.18. Its systematic name and IUPAC name are the same which is called 2-amino-7-phosphonoheptanoic acid. Do not breathe dust. You must avoid it contacting with skin and eyes.
Physical properties about DL-2-Amino-7-phosphonoheptanoic acid are: (1)ACD/LogP: -1.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.35; (4)ACD/LogD (pH 7.4): -5.44; (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: 5; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 49.48 cm3; (14)Molar Volume: 161.9 cm3; (15)Surface Tension: 67.6 dyne/cm; (16)Density: 1.39 g/cm3; (17)Flash Point: 244.2 °C; (18)Enthalpy of Vaporization: 81.55 kJ/mol; (19)Boiling Point: 480.1 °C at 760 mmHg.
Preparation: this chemical can be prepared by 2-acetylamino-2-[5-(diethoxy-phosphoryl)-pentyl]-malonic acid diethyl ester. This reaction will need reagent HCl. The reaction time is 8 hours by heating. The yield is about 76 %.
![DL-2-Amino-7-phosphonoheptanoic acid can be prepared by 2-acetylamino-2-[5-(diethoxy-phosphoryl)-pentyl]-malonic acid diethyl ester](/UserFilesUpload/preparation of DL-2-Amino-7-phosphonoheptanoic acid.png)
Uses of DL-2-Amino-7-phosphonoheptanoic acid: it can be used to produce 2-phenylacetylamino-7-phosphono-heptanoic acid at temperature of 0-5 °C. This reaction is a kind of Acylation. It will need solvents dioxane, H2O. The yield is about 65 %.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)CCCCCC(C(=O)O)N
(2)InChI: InChI=1/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
(3)InChIKey: MYDMWESTDPJANS-UHFFFAOYAP