Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,3-Cyclobutanedicarboxylicacid, 1-amino-, trans- |
EINECS | 604-604-1 |
CAS No. | 117488-23-0 | Density | 1.568 g/cm3 |
PSA | 100.62000 | LogP | -0.03660 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9NO4 | Boiling Point | 288.1 °C at 760 mmHg |
Molecular Weight | 159.142 | Flash Point | 128 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4-Methanoglutamate;trans-1-Aminocyclobutane-1,3-dicarboxylic acid; |
Article Data | 4 |
The 1,3-Cyclobutanedicarboxylicacid, 1-amino-, trans-, with the CAS registry number 117488-23-0, is also known as 2,4-Methanoglutamate. It belongs to the product category of Glutamate receptor. This chemical's molecular formula is C6H9NO4 and molecular weight is 159.14. What's more, its systematic name is trans-1-Aminocyclobutane-1,3-dicarboxylic acid. Its classification codes is Drug / Therapeutic Agent.
Physical properties of 1,3-Cyclobutanedicarboxylicacid, 1-amino-, trans- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 100.62 Å2; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 34.11 cm3; (12)Molar Volume: 101.4 cm3; (13)Polarizability: 13.52×10-24 cm3; (14)Surface Tension: 86 dyne/cm; (15)Density: 1.568 g/cm3; (16)Flash Point: 128 °C; (17)Enthalpy of Vaporization: 58.01 kJ/mol; (18)Boiling Point: 288.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000607 mmHg at 25°C.
Preparation: this chemical can be prepared by trans-methyl 1-(benzoylamino)-1-(pentamethylenecarbamoyl)cyclobutane-3-carboxylate at the temperature of 130 °C. This reaction will need reagent 6M aq. HCl with the reaction time of 24 hours. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1C[C@](N)(C1)C(=O)O
(2)InChI: InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6-
(3)InChIKey: GGMYWPBNZXRMME-HSRNZHMGSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 180mg/kg (180mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Medicinal Chemistry. Vol. 33, Pg. 2905, 1990. |