화학 백과사전   /  Pharmaceutical Intermediates  /  Organic Intermediate
3-Hydroxy-1-propanesulfonic acid sodium salt structure

3-Hydroxy-1-propanesulfonic acid sodium salt

 
1. 이름 및 식별자
1.1 제품명
3-Hydroxy-1-propanesulfonic acid sodium salt
1.2 동의어
1-HYDROXYPROPANE-3-SULFONIC ACID SODIUM SALT; 1-Propanesulfonic acid, 3-hydroxy-, sodium salt (1:1); 1-Propanesulfonic acid,3-hydroxy-, sodium salt (1:1); 3-HYDROXY-1-PROPANESULFONIC ACID, SODIUM SALT; 3-hydroxy-1-propanesulfonicacimonosodiumsalt; 3-Hydroxypropane-1-sulfonic acid sodium salt; Hpsna3-HydroxypropanesulfonicAcid,SodiumSalt; Sodium 3-sulfo-1-propanolate;
1.3 CAS No.
3542-44-7
1.4 CID
23687212
1.5 EINECS 번호
222-584-8
1.6 분자식
HO(CH2)3SO3Na
1.7 Inchi
InChI=1S/C3H8O4S.Na/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1
1.8 InchiKey
CSKVLUWCGPWCQR-UHFFFAOYSA-M
1.9 교회법에 의거 한 SMILES
[Na+].OCCCS([O-])(=O)=O
1.10 이성질체 SMILES
C(CO)CS(=O)(=O)[O-].[Na+]
2. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3. NMR 스펙트럼
13C NMR : Predict  
1H NMR : Predict  
4. 합성 선형
3542-44-7Total: 3 합성 선형
 
1120-71-4
1120-71-4 319 공급자
 
3542-44-7
3542-44-7 14 공급자
 
1120-71-4
1120-71-4 319 공급자
 
 
3542-44-7
3542-44-7 14 공급자
5. 전구체 및 제품
업스트림 제품:
다운스트림 제품:
6. 화학 데이터 계산
  • Molecular Weight:162.13g/mol
  • Molecular Formula:C3H7NaO4S
  • Compound Is Canonicalized:True
  • XLogP3-AA:161.99627416
  • Monoisotopic Mass:161.99627416
  • Complexity:134
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:85.8
  • Heavy Atom Count::9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint:AAADcYBAOCBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAACACkwAKAAAAAAgIAAAAAAHBAAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 13 공급자 자세히 보기
Tel: Update Time:2024/11/15
Tel: Update Time:2019/04/01
Tel: Update Time:2019/02/26
Tel: Update Time:2019/02/23
Tel: Update Time:2012/11/19
8. 실제 제품 정보
 
 
 
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