2-Acrylamido-2-methyl-1-propanesulfonic acid

HCID 65360CAS 15214-89-8

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CC(=O)NC(C)(C)CS(=O)(=O)O
InChIKey: XHZPRMZZQOIPDS-UHFFFAOYSA-N
分子式: C7H13NO4S
平均分子量: 207.25 g/mol
単同位体質量: 207.0565289

概要

2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid is an organosulfonic acid.

名称と識別子

優先名称: 2-Acrylamido-2-methyl-1-propanesulfonic acid
IUPAC: 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid

名称と別名

2-Acrylamido-2-methyl-1-propanesulfonic acidAtBSDTXSID5027770acryloyldimethyltaurineLUBRIZOL AMPSTBAS-Q1-Propanesulfonic acid, 2-acrylamido-2-methyl-DTXCID207770tert-butylacrylamidosulfonic acidacrylamide tert-butylsulfonic acidacrylamidomethylpropanesulfonic acid2-acrylamido-2-methylpropylsulfonic acid

名称をさらに表示

2-ACRYLAMIDO-2,2-DIMETHYLETHANESULFONIC ACIDRefChem:6738239-268-015214-89-82-Acrylamide-2-methylpropanesulfonic acid2-Acrylamido-2-methylpropanesulfonic acid2-acrylamido-2-methylpropane-1-sulfonic acid2-Acrylamido-2-methylpropanesulfonate

データベース識別子

CAS: 15214-89-8
PubChem CID: 65360
DTXSID: DTXSID5027770
ChEMBL: CHEMBL1907040
ChEBI: CHEBI:166476
UNII: 490HQE5KI5
EC Number: 239-268-0
Nikkaji: J38.141A

物性

構造計算による物性

XLogP: -0.4
極性表面積: 91.9 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 299

実験および物理化学的性質

Melting Point185.5 - 186 °C

Physical Description · 2 件

Liquid; Large Crystals; Other Solid; Dry Powder

Solid

Collision Cross Section141.5 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5027770]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.7% (9 of 516) of reports.

Danger

H302+H332 (13%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 516 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-

1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 21-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15200

Hazard Classes and CategoriesAcute Tox. 4 (97.3%)