Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others
10R-0623 structure
10R-0623 structure

10R-0623

Iupac Name:oxalic acid;urea
CAS No.: 513-80-4
Molecular Weight:122.06016
Modify Date.: 2022-02-11 09:07
1. Names and Identifiers
1.1 Name
10R-0623
1.2 Synonyms

2,2-Dimethyl-N-[1-(1-naphthalenyl)-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]propanamide 2,2-dimethyl-n-[1-(naphthalen-1-yl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide 2,2-dimethyl-n-[1-naphthalen-1-yl-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide AKOS005076200 MOLPORT-002-852-315 Propanamide, 2,2-dimethyl-N-[1-(1-naphthalenyl)-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-

1.3 CAS No.
513-80-4
1.4 CID
13685621
1.5 Molecular Formula
C13H14N2O3 (isomer)
1.6 Inchi
InChI=1S/C2H2O4.CH4N2O/c3-1(4)2(5)6;2-1(3)4/h(H,3,4)(H,5,6);(H4,2,3,4)
1.7 InChkey
YBSLUBPQYDULIZ-UHFFFAOYSA-N
1.8 Canonical Smiles
C(=O)(C(=O)O)O.C(=O)(N)N
1.9 Isomers Smiles
C(=O)(C(=O)O)O.C(=O)(N)N
2. Properties
3.1 Melting point
171 °C
3.1 Precise Quality
150.02800
3.1 PSA
143.71000
3.1 logP
-0.42000
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: 122.06016g/mol
  • Molecular Formula: C13H14N2O3
  • Compound Is Canonicalized: True
  • XLogP3-AA:
  • Exact Mass: 150.02767130
  • Monoisotopic Mass: 150.02767130
  • Complexity: 101
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 144
  • Heavy Atom Count: 10
  • 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
5. Recommended Suppliers
Global3SuppliersView all >>
  • Tel:+86-571-85378921
UREA OXALATE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/05/06
Inquire
  • Tel:+1-(800)-248-2436
UREA OXALATE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
  • Tel:022-24731872 24725282
UREA OXALATE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire