3-Hydroxy-1-propanesulfonic acid sodium salt 분자 구조

3D Mol Similar

3-Hydroxy-1-propanesulfonic acid sodium salt

: IUPAC이름：sodium;3-hydroxypropane-1-sulfonate; CAS 레지스트리 번호: 3542-44-7; 분자 무게：162.14

견적을 보내다

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; 모두 보기

1.3 CAS 레지스트리 번호: 3542-44-7

1.4 CID: 23687212

1.5 EINECS 번호: 222-584-8

1.6 분자식: HO(CH2)3SO3Na (isomer)

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. 속성

2.1 융해점: 260?°C (dec.)(lit.)

3. 보안 및 처리

3.1 WGK 독일: 3

4. 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

모두 보기

5. NMR 스펙트럼

13C NMR : Predict

1H NMR : Predict

6. 합성 선형

3542-44-7Total: 3 합성 선형

1120-71-4 319 공급자

3542-44-7 14 공급자

문헌:
Canadian Journal of Chemistry, , vol. 67, p. 2162 - 2172
공장: null

1120-71-4 319 공급자

51034-39-0

3542-44-7 14 공급자

문헌:
Canadian Journal of Chemistry, , vol. 67, p. 2162 - 2172
공장: null

503-30-0 41 공급자

7757-83-7 754 공급자

3542-44-7 14 공급자

문헌:
Journal of the American Chemical Society, , vol. 75, p. 1636 - 1641
공장: null

7. 전구체 및 제품

업스트림 제품:

1120-71-4

503-30-0

7757-83-7

다운스트림 제품 :

4720-61-0

1633-82-5

8. 화학 데이터 계산

분자량: 162.13g/mol
분자식: C₃H₇NaO₄S
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 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==

9. 권장 공급업체

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3-hydroxy-1-propanesulfonic acid, Sodium salt