CAS No.513-29-1,Glycine sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	513-29-1
Name:	Glycine sulfate
Article Data:	8

Formula:	C₆H₁₇N₃O₁₀S
Molecular Weight:	323.281
Synonyms:	Triglycine sulfate;Glycine,compounds,sulfate (3:1);
EINECS:	208-154-2
Density:	1.254 g/cm³
Boiling Point:	240.9 °C at 760 mmHg
Flash Point:	99.5 °C
Solubility:	212.6g/L(20 oC)
Appearance:	white crystalline powder
Safety:	24/25
PSA:	272.94000
LogP:	-0.38200

Synthetic route

: 56-40-6
glycine

: 513-29-1
triglycine sulfate

Conditions

Conditions	Yield
With sulfuric acid In water pH=2.5;
With sulfuric acid In water at 20℃;
With sulfuric acid In water at 45℃; for 480h;
With sulfuric acid In water at 50℃;

: manganese (II) sulfate monohydrate

: 513-29-1
triglycine sulfate

Mn(2+) doped triglycine sulfate: Mn(2+) doped triglycine sulfate

Conditions

Conditions	Yield
addn. of Mn sulfate to glycine sulfate soln., pH value is between 2.2 -2.4, growth temp. is 45 - 35°C, rate of lowering temp. is 0.2 - 0.3°C/d (slow cooling method), products are grown from soln. contg. 10 or 20 wt.% Mn(2+);

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Specification

The Glycine sulfate, with the CAS registry number 513-29-1, is also known as Triglycine sulfate. Its EINECS registry number is 208-154-2. This chemical's molecular formula is C₆H₁₇N₃O₁₀S and molecular weight is 323.28. What's more, its systematic name is Glycine sulfate (3:1). In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from strong oxidant. During using it, you should avoid contacting with skin and eyes.

Physical properties about Glycine sulfate are: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.53; (4)ACD/LogD (pH 7.4): -3.53; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 99.5 °C; (14)Enthalpy of Vaporization: 52.63 kJ/mol; (15)Boiling Point: 240.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0123 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CN.O=S(=O)(O)O.O=C(O)CN.O=C(O)CN
(2) InChI: InChI=1/3C2H5NO2.H2O4S/c3*3-1-2(4)5;1-5(2,3)4/h3*1,3H2,(H,4,5);(H2,1,2,3,4)
(3) InChIKey: GZXOHHPYODFEGO-UHFFFAOYAK