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(2-Aminoethyl)phosphonic acid

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Name

(2-Aminoethyl)phosphonic acid

EINECS 218-043-0
CAS No. 2041-14-7 Density 1.482 g/cm3
PSA 93.36000 LogP -0.17690
Solubility soluble in water Melting Point 296 °C (dec.)(lit.)
Formula C2H8NO3P Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 125.064 Flash Point 167 °C
Transport Information N/A Appearance white to beige crystalline powder
Safety 26-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2041-14-7 ((2-Aminoethyl)phosphonic acid) Hazard Symbols IrritantXi
Synonyms

Phosphonicacid, (2-aminoethyl)- (6CI,7CI,8CI,9CI);2-Aminoethanephosphonic acid;Ciliatine;NSC 133837;Phosphonoethylamine;b-Aminoethylphosphonic acid;

Article Data 25

(2-Aminoethyl)phosphonic acid Specification

The (2-Aminoethyl)phosphonic acid, with the CAS registry number 2041-14-7, is also known as beta-Aminoethylphosphonic acid. Its EINECS registry number is 218-043-0. This chemical's molecular formula is C2H8NO3P and molecular weight is 125.06. Its IUPAC name is called 2-aminoethylphosphonic acid. You should keep container tightly sealed and store in a cool, dry place. Besides, you should ensure that workplaces have good ventilation or exhaust. This chemical is white to beige crystalline powder.

Physical properties of (2-Aminoethyl)phosphonic acid: (1)ACD/LogP: -2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.11; (4)ACD/LogD (pH 7.4): -5.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.499; (13)Molar Refractivity: 24.79 cm3; (14)Molar Volume: 84.3 cm3; (15)Surface Tension: 72.6 dyne/cm; (16)Density: 1.482 g/cm3; (17)Flash Point: 167 °C; (18)Enthalpy of Vaporization: 65.62 kJ/mol; (19)Boiling Point: 352.5 °C at 760 mmHg; (20)Vapour Pressure: 6.5E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by (2-benzyloxycarbonylamino-ethyl)-phosphonic acid diethyl ester. This reaction will need reagent cc. hydrochloric acid. The reaction time is 20 hours by heating. The yield is about 90%.

Uses of (2-Aminoethyl)phosphonic acid: it can be used to produce 2-Guanidinoethanphosphorsaeure at temperature of 60 °C. This reaction will need reagent KOH with reaction time of 4 hours. The yield is about 48.6%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You must avoid contacting it with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CP(=O)(O)O)N
(2)InChI: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
(3)InChIKey: QQVDJLLNRSOCEL-UHFFFAOYSA-N

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