CAS 926-39-6 Aminoethyl sulfate (HCID 70223)

Overview

2-aminoethyl hydrogen sulfate is an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor.

Names & identifiers

Preferred name: Aminoethyl sulfate
IUPAC: 2-aminoethyl hydrogen sulfate
English name: 2-Aminoethyl hydrogen sulfate
Molecular formula: C2H7NO4S
Molecular weight: 141.15

Names & synonyms

2-Aminoethyl hydrogen sulfate926-39-6Aminoethyl sulfate2-Aminoethyl sulfate2-Aminoethyl hydrogen sulphateMono(2-aminoethyl) sulfateWAS-34DTXSID3044469Ethanol, 2-amino-, hydrogen sulfate (ester)NSC 204188ETHANOLAMINE SULFATE2-Aminoethyl sulfuric acid

Show more names

aminoethylsulfateethanolaminesulfateethanolamineo-sulfate2-AMINOETHANOL SULFATEaminoethylsulfuric acid2-Aminoethylhydrosulfatemono(2-aminoethyl)sulfateAMINOETHYL HYDROGEN SULFATE

NSC 3532EINECS 213-135-7AI3-16953Ethanol, 2-amino-, 1-(hydrogen sulfate)NSC-3532NSC-204188DTXCID1024469WSYUEVRAMDSJKL-UHFFFAOYSA-

Database identifiers

CAS: 926-39-6
PubChem CID: 70223
DTXSID: DTXSID3044469
ChEMBL: CHEMBL341858
ChEBI: CHEBI:232350
UNII: 9C8F910HLK
EC Number: 213-135-7
Nikkaji: J140.454G

Properties

Computed structural properties

XLogP: -4.1
Topological polar surface area: 98 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 133

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

CosmeticsSurfactant

Physical DescriptionLight yellow crystalline solid; [Aldrich MSDS]

Collision Cross Section121.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044469]

Physicochemical properties

Melting point: 277 °C · 277 °C (dec.)(lit.)
Boiling point: 296.49 ℃[at · 296.49℃[at 101 325 Pa]
Density: 1.344 · 1.344 (estimate)
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 1.513 · 1.5130 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Methanol (Slightly), Water (Soluble)
form: Fine Crystalline Powder
pka: -4.33 · -4.33±0.18(Predicted)
color: White to slightly beige
Water Solubility: almost transparency
BRN: 1704079 · 1704079
Cosmetics Ingredients Functions: SURFACTANT - CLEANSING
InChI: 1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)
InChIKey: WSYUEVRAMDSJKL-UHFFFAOYSA-N
SMILES: NCCOS(O)(=O)=O || NCCOS(O)(=O)=O
LogP: -3.96 at · -3.96 at 25℃
CAS DataBase Reference: 926 · 926-39-6(CAS DataBase Reference)
FDA UNII: 9 C8F910HLK · 9C8F910HLK
EPA Substance Registry System: 2 · Ethanol, 2-amino-, hydrogen sulfate (ester) (926-39-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 6371000 · KJ6371000
TSCA: TSCA listed
HS Code: 29221990 · 29221990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 18-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27212

Ethanol, 2-amino-, hydrogen sulfate (ester): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryCauses somnolence and excitement in oral lethal-dose studies of mice; [RTECS] An irritant; Harmful by ingestion; [Aldrich MSDS] See Ethanolamine.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxicology

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: KJ6371000
hs_code: 29221990
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Surfactant

General Manufacturing InformationEthanol, 2-amino-, 1-(hydrogen sulfate): ACTIVE

Applications

Uses2-Aminoethyl Sulfate, is a building block used for the synthesis of various pharmaceutical and biologically active compounds, including inhibitors and therapeutic compounds. It can be used in the preparation of Taurine (T007850).