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Taurine(CAS No. 107-35-7)

Taurine C2H7NO3S (cas 107-35-7) Molecular Structure

107-35-7 Structure

Identification and Related Records

【Name】
Taurine
【CAS Registry number】
107-35-7
【Synonyms】
2-aminoethanesulfonic acid
aminoetylsulphonic acid
Aminoethylsulfonic acid (JAN)
2-aminoethyl sulfonate
beta-aminoethylsulfonic acid
Taufon
Aminoethylsulfonic acid
O-Due
2-Sulfoethylamine
Ethanesulfonic acid, 2-amino- (9CI)
Aminoethanesulfonic acid
Taurine (8CI)
Taukard
L-Taurine
2-Aminoethylsulfonic acid
2-azaniumylethanesulfonate
ethanesulfonic acid, 2-amino-
ethylaminesulphonic acid
2-aminoethylsulfonic acid, ethlaminosulfonic acid
2-Aminoethanesulphonic acid >99%
2-amino ethanesulfonic acid
Taurine JP8 (food, feed & pharmaceutical grade)
Taurine (P015)
2-Aminoethansulfonic

2-Amino ethyl sulfonic acid
【EINECS(EC#)】
203-483-8
【Molecular Formula】
C2H7NO3S (Products with the same molecular formula)
【Molecular Weight】
125.14
【Inchi】
InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
【InChIKey】
XOAAWQZATWQOTB-UHFFFAOYSA-N
【Canonical SMILES】
C(CS(=O)(=O)O)N
【MOL File】
107-35-7.mol

Chemical and Physical Properties

【Appearance】
White crystalline powder
【Density】
1.494 g/cm3
【Melting Point】
300℃
【Refractive Index】
1.515
【Flash Point】
300
【Water】
5-10 g/100 mL at 23.5℃
【Solubilities】
5-10 g/100 mL at 23.5 °C
【Stability】
Stable. Incompatible with strong oxidizing agents.
【HS Code】
29211980
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:125.14688 [g/mol]
Molecular Formula:C2H7NO3S
XLogP3-AA:-4.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:125.014664
MonoIsotopic Mass:125.014664
Topological Polar Surface Area:88.8
Heavy Atom Count:7
Formal Charge:0
Complexity:120
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Safety】

Safety Information of Taurine (CAS NO.107-35-7):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38???
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: WX0175000
HS Code: 29211980

【Specification】

?Taurine , its CAS NO. is 107-35-7, the synonyms are 2-Aminoethanesulfonic acid ; 2-Aminoethylsulfonic acid ; 2-Sulfoethylamine ; Tauphon ; Taurinum ; ?beta-Aminoethylsulfonic acid ; Ethanesulfonic acid, 2-amino- ; L-Taurine .

Use and Manufacturing

【Usage】

An important amino acid in a number of metabolic processes.

Biomedical Effects and Toxicity

【Biological Activity】
One of the most abundant free amino acids in the brain. A partial agonist at the inhibitory glycine receptor.
【Pharmacological Action】
ACUTE/CHRONIC HAZARDS: Taurine evolves highly toxic fumes when heated to decomposition, and may cause irritation on contact.
【Biomedical Effects and Toxicity】
One of the most abundant free amino acids in the brain. A partial agonist at the inhibitory glycine receptor.

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