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Carboxymethoxylamine hemihydrochloride

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Name

Carboxymethoxylamine hemihydrochloride

EINECS 220-862-3
CAS No. 2921-14-4 Density 1.7848 (rough estimate)
PSA 145.10000 LogP 0.12520
Solubility decompose in water Melting Point 156 °C (dec.)(lit.)
Formula 2(C2H5NO3).HCl Boiling Point 326.7 °C at 760 mmHg
Molecular Weight 218.594 Flash Point 151.4 °C
Transport Information N/A Appearance white to off-white crystalline powder or crystals
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2921-14-4 (Carboxymethoxylamine hemihydrochloride) Hazard Symbols IrritantXi
Synonyms

Aceticacid, (aminooxy)-, hemihydrochloride (6CI);Acetic acid, (aminooxy)-,hydrochloride (2:1) (8CI,9CI);Aminooxyacetic acid hemichloride;Aminooxyaceticacid hemihydrochloride;Carboxymethoxyamine hemihydrochloride;O-Carboxymethylhydroxylaminehemihydrochloride;

 

Carboxymethoxylamine hemihydrochloride Specification

The IUPAC name of Carboxymethoxylamine hemihydrochloride is 2-aminooxyacetic acid; carboxymethyloxyazanium; chloride. With the CAS registry number 2921-14-4, it is also named as Acetic acid, (aminooxy)-, hemihydrochloride. The product's categories are Hydroxylamines; Hydroxylamines (O-Substituted); Cross Linking Reagents; Amines; Isotope Labeled Compounds. Besides, it is white to off-white crystalline powder or crystals, which should be stored in closed, cool and dry place. In addition, this chemical decomposes in water.

The other characteristics of this product can be summarized as: (1)EINECS: 220-862-3; (2)ACD/LogP: -0.59; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.96; (5)ACD/LogD (pH 7.4): -4.22; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 4; (11)H bond donors: 3; (12)Freely Rotating Bonds: 3; (13)Polar Surface Area: 38.77 Å2; (14)Flash Point: 151.4 °C; (15)Melting point: 156 °C; (16)Enthalpy of Vaporization: 62.55 kJ/mol; (17)Boiling Point: 326.7 °C at 760 mmHg; (18)Vapour Pressure: 4.24E-05 mmHg at 25 °C.

Preparation and Uses of Carboxymethoxylamine hemihydrochloride: this chemical can be prepared by the reaction of O-Carboxymethyl acetone oxime with Hydrochloric acid. Furthermore, it is a bifunctional linking reagent that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues. Additionally, it is also used for producing chemical luminescent material.

When you are using this chemical, please be cautious about it as the following: Carboxymethoxylamine hemihydrochloride is irritating to eyes, respiratory system and skin. You should wear  suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)CON.Cl.O=C(O)CON
(2)InChI:InChI=1/2C2H5NO3.ClH/c2*3-6-1-2(4)5;/h2*1,3H2,(H,4,5);1H
(3)InChIKey:KBXIJIPYZKPDRU-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/2C2H5NO3.ClH/c2*3-6-1-2(4)5;/h2*1,3H2,(H,4,5);1H
(5)Std. InChIKey:KBXIJIPYZKPDRU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 464, 1962.
mouse LD50 subcutaneous 91mg/kg (91mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Neuropharmacology. Vol. 21, Pg. 803, 1982.

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