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화학 백과사전
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Pharmaceutical Intermediates
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Organic Intermediate
3-Hydroxy-1-propanesulfonic acid sodium salt
CAS:
3542-44-7
MW:
162.13
MF:
C3H7NaO4S
 
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이름 및 식별자
MSDS 정보
NMR 스펙트럼
화학 데이터 계산
실제 제품 정보
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;
View all
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
모두 보기
3. NMR 스펙트럼
13C NMR : Predict
1H NMR : Predict
4. 합성 선형
3542-44-7
Total: 3 합성 선형
1120-71-4
319 공급자
3542-44-7
14 공급자
1120-71-4
319 공급자
51034-39-0
3542-44-7
14 공급자
5. 전구체 및 제품
업스트림 제품:
1120-71-4
503-30-0
7757-83-7
다운스트림 제품:
4720-61-0
1633-82-5
6. 화학 데이터 계산
Molecular Weight:
162.13g/mol
Molecular Formula:
C
3
H
7
NaO
4
S
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
Henan Tianfu Chemical Co.,Ltd
1YR
Tel:
Update Time:
2024/11/15
inquire
Shijiazhuang Sdyano Fine Chemical Co., Ltd
Tel:
Update Time:
2019/04/01
inquire
Shanghai Sphchem Co., Ltd
Tel:
Update Time:
2019/02/26
inquire
Shanghai Yuanye Bio
Tel:
Update Time:
2019/02/23
inquire
stonelakepharm Tec Co,Ltd
Tel:
Update Time:
2012/11/19
inquire
8. 실제 제품 정보
2-Hydroxypropane-2-Sulphonic Acid
cas:7785-42-4
PANTOPRAZOLE SULPHONE SODIUM SALT
cas:127780-16-9
Sodium salt of polynaphthalene sulphonic acid
cas:36290-04-7
Sodium 5-hydroxynaphthalene-1-sulphonate
cas:5419-77-2
sodium 8-aminonaphthalene-2-sulphonate
cas:6322-37-8
sodium 4-bromobutane-1-sulphonate
cas:53535-08-3
1. 이름 및 식별자
1.1 제품명
1.2 동의어
1.3 CAS No.
1.4 EINECS(EC#)
1.5 분자식
1.6 Inchi
1.7 InchiKey
1.8 교회법에 의거 한 SMILES
1.9 이성질체 SMILES
2.
MSDS 정보
3.
NMR 스펙트럼
4.
합성 선형
5.
전구체 및 제품
6.
화학 데이터 계산
7.
Toltal 13 공급자
8.
실제 제품 정보
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