Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Agrochemical Intermediates
e599-0221 structure
e599-0221 structure

e599-0221

Iupac Name:(3R)-4-amino-3-(4-methylphenyl)butanoic acid
CAS No.:67112-56-5
Molecular Weight:193.246
1. Names and Identifiers
1.1 Name
e599-0221
1.2 Synonyms

3-((4-ethylphenyl)sulfonyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1-propylquinolin-4(1h)-one 3-[(4-ethylphenyl)sulfonyl]-6-fluoro-7-(4-methylpiperazin-1-yl)-1-propylquinolin-4(1h)-one AKOS001925507 CCG-78976 CHEMBL1591966 F3411-0628 HMS1867O13 MOLPORT-007-746-097 ZINC8596668

1.3 CAS No.
67112-56-5
1.4 CID
794534
1.5 Molecular Formula
C8H15NO3 (isomer)
1.6 Inchi
InChI=1S/C11H15NO2/c1-8-2-4-9(5-3-8)10(7-12)6-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1
1.7 InChkey
MSZRPURXKHMSFF-JTQLQIEISA-N
1.8 Canonical Smiles
CC1=CC=C(C=C1)C(CC(=O)O)CN
1.9 Isomers Smiles
CC1=CC=C(C=C1)[C@@H](CC(=O)O)CN
2. Properties
3.1 Density
1.235±0.06 g/cm3(Predicted)
3.2 Refractive Index
1.557
3. MSDS

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

4. Computational chemical data
  • Molecular Weight:193.246g/mol
  • Molecular Formula:C8H15NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:193.110278721
  • Monoisotopic Mass:193.110278721
  • Complexity:186
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
5. Recommended Suppliers
Global12SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
(R)-4-Amino-3-p-tolylbutanoic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Pharmaceutical Intermediate, API, Botanical Extract
  • Tel:86-311-66600578
(R)-4-AMINO-3-P-TOLYLBUTANOIC ACID
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/06/07
Inquire
  • Products:API Intermediate Plant extracts Pigments and dyes Food and feed additives Reagent Customization synthesisOther products
  • Tel:86-571-86960370
(R)-4-Amino-3-p-tolylbutanoic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/06/12
Inquire
  • Products:organic chemicals; intermediates
  • Tel:86-21-50677091
(R)-4-Amino-3-p-tolylbutanoic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2016/12/28
Inquire
  • Tel:0086-21-50563169
(R)-4-Amino-3-p-tolylbutanoic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/24
Inquire