2-아크릴아미도-2-메틸프로판술폰산
2-Acrylamido-2-methyl-1-propanesulfonic acid
기본 정보
- CAS
15214-89-8- 표준 SMILES
C=CC(=O)NC(C)(C)CS(=O)(=O)O- InChIKey
XHZPRMZZQOIPDS-UHFFFAOYSA-N- 분자식
- C7H13NO4S
- 평균 분자량
- 207.25 g/mol
- 단동위원소 질량
- 207.0565289
개요
2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid is an organosulfonic acid.
이름 및 식별자
- 우선 이름
- 2-Acrylamido-2-methyl-1-propanesulfonic acid
- IUPAC
- 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
- 현지명
- 2-아크릴아미도-2-메틸프로판술폰산
- 영어명
- 2-Acrylamide-2-methylpropanesulfonic acid
- 분자식
- C7H13NO4S
- 분자량
- 207.25
이름 및 동의어
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
이름 더 보기
2-아크릴아미노-2-메틸프로판설폰산2-아크릴아미도-2-메틸프로판술폰산아크릴아미드t-부틸술폰산(ATBS)AMPSTBAS2-ACRYLAMIDO-2-METHYLPROPANESULPHONIC ACID2-Acrylamido-2-methyl-1-propaneampsna2-METHYL-2-[(1-OXO-2-PROPENYL)AMINO]-1-PROPANESULFONIC ACIDACRYLAMIDO BUFFER
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
데이터베이스 식별자
- CAS
15214-89-8- PubChem CID
- 65360
- DTXSID
DTXSID5027770- ChEMBL
CHEMBL1907040- ChEBI
CHEBI:166476- UNII
- 490HQE5KI5
- EC Number
- 239-268-0
- Nikkaji
- J38.141A
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 91.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 299
실험 및 물리화학적 성질
Melting Point185.5 - 186 °C
Physical Description
Liquid; Large Crystals; Other Solid; Dry Powder
Solid
Collision Cross Section141.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5027770]
물리화학적 성질
- 녹는점
- 195 °C · 195 °C (dec.) (lit.)
- 밀도
- 1.45 · 1.45
- 증기압
- 4e-7 hPa · <0.0000004 hPa (25 °C)
- 굴절률
- 1.637 · 1.6370 (estimate)
- 인화점
- 160 °C · 160 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 500 g/l · >500g/l 가용성
- 산도 계수 (pKa)
- 1.67 · 1.67±0.50(Predicted)
- 물리적 상태
- 액체
- 색상
- 하얀색
- 수용성
- 1500 g/L · 1500 g/L (20 ºC)
- BRN
- 1946464 · 1946464
- 안정성
- 감광성
- InChI
- 1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
- InChIKey
- HNKOEEKIRDEWRG-UHFFFAOYSA-N
- SMILES
- CC(C)(CS(O)(=O)=O)NC(=O)C=C
- LogP
- -3.7 at · -3.7 at 20℃ and pH1-7
- 표면장력
- 70.5 mN/m · 70.5mN/m at 1g/L and 20℃
- EPA
- 1 · 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]- (15214-89-8)
화학적 성질
2-Acrylamide-2-methylpropanesulfonic acid is a white crystals. The melting point is 195°C (decomposition). Soluble in water, the solution is acidic. Soluble in dimethylformamide, partially soluble in methanol, ethanol, insoluble in acetone. Slightly sour.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TZ6658000
- ridadr
- UN 2585 8/PG 3
- 독성
- LD50 orally in Rabbit: 1000 - 2000 mg/kg
- HS 번호
- 29241900
- risk_code
- 34-21/22-41-37-20/22
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45-22
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-00191
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1STOT SE 3
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-: ACTIVE
제조 방법
2-Acrylamido-2-methylpropanesulfonic acid(AMPS) can be synthesized by one step and two steps. The one-step method is to react the raw materials acrylonitrile, isobutylene and oleum together. The two-step method is to sulfonate isobutylene in the presence of a reaction solvent to obtain a sulfonated intermediate, and then react with acrylonitrile in the presence of sulfuric acid. One-step method is more economical. Raw material consumption quota: isobutylene 300kg/t, acrylonitrile 290kg/t, oleum 560kg/t.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
17건
화합물 노트
불러오는 중…