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Hypotaurine

Hypotaurine structure

CAS No:
300-84-5
Formula:
C2H7NO2S
Chemical Name:
Hypotaurine
Synonyms:
Ethanesulfinic acid,2-amino-;2-Aminoethanesulfinic acid;Cystaminesulfinic acid;Hypotaurine;2-Aminoethylsulfinic acid;2-Aminoethane-1-sulfinic acid;1216888-14-0
Categories:
Cosmetic Ingredient > Antioxidant Ingredient

Description

Hypotaurine (2-aminoethanesulfinic acid), an intermediate in taurine biosynthesis from cysteine in astrocytes, is an endogenous inhibitory amino acid of the glycine receptor.

Solid

Hypotaurine is an aminosulfinic acid comprising ethylamine having the sulfo group at the 2-position. It has a role as a metabolite, a human metabolite and a mouse metabolite. It is a conjugate acid of a hypotaurine(1-). It is a tautomer of a hypotaurine zwitterion.

Hypotaurine Basic Attributes

Molecular Weight：

109.143

Exact Mass：

109.15

EC Number：

428-720-4

UNII：

5L08GE4332

DSSTox ID：

DTXSID8075380

HScode：

2930909090

Characteristics

PSA：

82.5

XLogP3：

-2.03

Appearance：

Solid

Density：

1.5±0.1 g/cm3

Melting Point：

175-177 °C

Boiling Point：

354.9±44.0 °C at 760 mmHg

Flash Point：

168.5±28.4 °C

Refractive Index：

1.616

Water Solubility：

H2O: 100 mg/mL

Collision Cross Section：

125.4 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|132.6 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|132.9 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

MeSH Entry Terms：

hypotaurine

Hypotaurine Use and Manufacturing

Use Classification：

Cosmetics -> Reducing

Computed Properties

Molecular Weight:109.15
XLogP3:-1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:109.01974964
Monoisotopic Mass:109.01974964
Topological Polar Surface Area:82.5
Heavy Atom Count:6
Complexity:55.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hypotaurine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Hypotaurine

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