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1-Aminocyclobutanecarboxylic acid

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Name

1-Aminocyclobutanecarboxylic acid

EINECS N/A
CAS No. 22264-50-2 Density 1.29 g/cm3
PSA 63.32000 LogP 0.65270
Solubility Soluble to 100 mM in water. Melting Point 261 °C (dec.)(lit.)
Formula C5H9NO2 Boiling Point 241.1 °C at 760 mmHg
Molecular Weight 115.132 Flash Point 99.6 °C
Transport Information N/A Appearance WHITE TO TAN POWDER, CRYSTALS, CRYSTALLINE POWDER, AND/OR WITH CHUNKS.
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 22264-50-2 (1-Aminocyclobutanecarboxylic acid) Hazard Symbols HarmfulXn
Synonyms

1-Aminocyclobutane-1-carboxylicacid;NSC 403362;NSC 403363;

Article Data 14

1-Aminocyclobutanecarboxylic acid Specification

The CAS register number of 1-Aminocyclobutanecarboxylic acid is 22264-50-2. It also can be called as 1-Aminocyclobutane-1-carboxylic acid and the IUPAC name about this chemical is 1-aminocyclobutane-1-carboxylic acid. The molecular formula about this chemical is C5H9NO2 and the molecular weight is 115.13. It belongs to the following product categories which include Amino Acids and Derivatives; pharmacetical; Carboxylic Acids; Carboxylic Acids; Ring Systems; Alicyclic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives; Glutamate receptor and so on.

Physical properties about 1-Aminocyclobutanecarboxylic acid are: (1)ACD/LogP: -0.62; (2)ACD/LogD (pH 5.5): -3.12; (3)ACD/LogD (pH 7.4): -3.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 28.01 cm3; (14)Molar Volume: 89.2 cm3; (15)Polarizability: 11.1x10-24cm3; (16)Surface Tension: 60.4 dyne/cm; (17)Enthalpy of Vaporization: 52.65 kJ/mol; (18)Boiling Point: 241.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0122 mmHg at 25°C.

Preparation: this chemical can be prepared by 5,7-diaza-sπro[3.4]octane-6,8-dione. This reaction will need reagent Ba(OH)2*8H2O and solvent H2O.

Uses of 1-Aminocyclobutanecarboxylic acid: it can be used to produce methyl a-aminocyclobutanecarboxylate hydrochloride with methanol at heating. This reaction will need reagent HCl with reaction time of 4 hours. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed, it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1(N)CCC1
(2)InChI: InChI=1/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)
(3)InChIKey: FVTVMQPGKVHSEY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)
(5)Std. InChIKey: FVTVMQPGKVHSEY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 500mg/kg (500mg/kg)   Biochemical Pharmacology. Vol. 5, Pg. 108, 1960.
 

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