1,3-Cyclobutanedicarboxylicacid, 1-amino-, trans- supplier

Name
1-AMINOCYCLOBUTANE-CIS-1,3-DICARBOXYLIC ACID
EINECS 604-604-1
CAS No. 117488-23-0
Article Data4
CAS DataBase
Density 1.568 g/cm³
Solubility
Melting Point
Formula C₆H₉NO₄
Boiling Point 288.1 °C at 760 mmHg
Molecular Weight 159.142
Flash Point 128 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Methanoglutamate;trans-1-Aminocyclobutane-1,3-dicarboxylic acid;
PSA 100.62000
LogP -0.03660

1,3-Cyclobutanedicarboxylicacid, 1-amino-, trans- Specification

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^-24cm³; (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%.

1,3-Cyclobutanedicarboxylicacid, 1-amino-, trans- can be prepared by trans-methyl 1-(benzoylamino)-1-(pentamethylenecarbamoyl)cyclobutane-3-carboxylate at the temperature of 130 °C

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.

Product Name

1-AMINOCYCLOBUTANE-CIS-1,3-DICARBOXYLIC ACID

1,3-Cyclobutanedicarboxylicacid, 1-amino-, trans- Specification

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