1,3-Cyclobutanedicarboxylicacid, 1-amino-, cis- supplier

Name
1-AMINOCYCLOBUTANE-CIS-1,3-DICARBOXYLIC ACID
EINECS
CAS No. 73550-55-7
Article Data5
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 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms cis-1-Aminocyclobutane-1,3-dicarboxylicacid;cis-2,4-Methanoglutamate;1-Aminocyclobutane-cis-1,3-dicarboxylic acid;cis-2,4-Methanoglutamic acid;
PSA 100.62000
LogP -0.03660

1,3-Cyclobutanedicarboxylicacid, 1-amino-, cis- Specification

The 1,3-Cyclobutanedicarboxylicacid, 1-amino-, cis-, with the CAS registry number 73550-55-7, is also known as 1-Aminocyclobutane-cis-1,3-dicarboxylic acid. 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 cis-1-Aminocyclobutane-1,3-dicarboxylic acid. Its classification code is Drug / Therapeutic Agent and it should be stored at room temperature.

Physical properties of 1,3-Cyclobutanedicarboxylicacid, 1-amino-, cis- 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.

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-MYNUVTBMSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	> 180mg/kg (180mg/kg)		Journal of Medicinal Chemistry. Vol. 33, Pg. 2905, 1990.

Product Name

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

1,3-Cyclobutanedicarboxylicacid, 1-amino-, cis- Specification

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