CAS No.2921-14-4,Carboxymethoxylamine hemihydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2921-14-4
Name:	Carboxymethoxylamine hemihydrochloride

Formula:	2(C₂H₅NO₃)^.HCl
Molecular Weight:	218.594
Synonyms:	Aceticacid, (aminooxy)-, hemihydrochloride (6CI);Acetic acid, (aminooxy)-,hydrochloride (2:1) (8CI,9CI);Aminooxyacetic acid hemichloride;Aminooxyaceticacid hemihydrochloride;Carboxymethoxyamine hemihydrochloride;O-Carboxymethylhydroxylaminehemihydrochloride;
EINECS:	220-862-3
Density:	1.7848 (rough estimate)
Melting Point:	156 °C (dec.)(lit.)
Boiling Point:	326.7 °C at 760 mmHg
Flash Point:	151.4 °C
Solubility:	decompose in water
Appearance:	white to off-white crystalline powder or crystals
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	145.10000
LogP:	0.12520

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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.