Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Other Inorganic Salts  /  Pharmaceutical Intermediates  /  Pharmaceuticals and Biochemicals  /  Pharmaceutical  /  Other Organic Chemicals
Cyclopropanecarboxylicacid, 1-amino-2-(4-hydroxyphenyl)- structure
Cyclopropanecarboxylicacid, 1-amino-2-(4-hydroxyphenyl)- structure

Cyclopropanecarboxylicacid, 1-amino-2-(4-hydroxyphenyl)-

Iupac Name:(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CAS No.:57-50-1
Molecular Weight:342.3
1. Names and Identifiers
1.1 Name
Cyclopropanecarboxylicacid, 1-amino-2-(4-hydroxyphenyl)-
1.2 Synonyms

Cyclopropanecarboxylic acid, 1-amino-2-(4-hydroxyphenyl)- (9CI)

1.3 CAS No.
57-50-1
1.4 CID
5988
1.5 Molecular Formula
C8H10F2O (isomer)
1.6 Inchi
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
1.7 InChkey
CZMRCDWAGMRECN-UGDNZRGBSA-N
1.8 Canonical Smiles
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
1.9 Isomers Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
185-187 °C(lit.)
3.2 Refractive Index
66.5 ° (C=26, H2O)
3.3 Alpha
67 º (C=26, IN WATER 25 ºC)
4. Safety and Handling
4.1 Risk Statements
36/37/38
4.2 Safety Statements
24/25-37/39-26
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:342.3g/mol
  • Molecular Formula:C8H10F2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:_3.7
  • Exact Mass:342.116
  • Monoisotopic Mass:342.116
  • Complexity:395
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:8
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:190A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:9
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwPAAAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAA AAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Recommended Suppliers
Global327SuppliersView all >>
  • Products:CBD,443998-65-0,16648-44-5,BMK,PMK
  • Tel:86-162-68733030
  • Email:admin@hbbocao.com
Factory supply sucrose Cas 57-50-1 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/09/22
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory supply sucrose Cas 57-50-1 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/07/08
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Sucrose
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
D-(+)-Sucrose
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
D(+)-Sucrose
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire