Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Gastrointestinal Agents  /  Pharmaceutical Intermediates  /  Agrochemicals  /  Pharmaceuticals and Biochemicals
1-Methyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[d]pyrimidine-2,4-dione structure
1-Methyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[d]pyrimidine-2,4-dione structure

1-Methyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[d]pyrimidine-2,4-dione

Iupac Name:1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochloride
CAS No.: 70956-04-6
Molecular Weight:350.86500
Modify Date.: 2021-08-10 18:50
1. Names and Identifiers
1.1 Name
1-Methyl-1H,2H,3H,4H,5H,6H,7H-cyclopenta[d]pyrimidine-2,4-dione
1.2 CAS No.
70956-04-6
1.3 CID
47909
1.4 Inchi
InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H
1.5 InChkey
GGWBHVILAJZWKJ-UHFFFAOYSA-N
1.6 Canonical Smiles
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl
1.7 Isomers Smiles
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl
2. Properties
3.1 Precise Quality
350.11800
3.1 PSA
111.56000
3.1 logP
3.56600
3. Safety and Handling
4.1 Risk Statements
R20/21/22
4.1 Safety Statements
S22;S24/25
4.1 WGK Germany
2
4.1 RTECS
KM6557000
4. Computational chemical data
  • Molecular Weight: 350.86500g/mol
  • Molecular Formula:
  • Compound Is Canonicalized: True
  • XLogP3-AA:
  • Exact Mass: 350.1179395
  • Monoisotopic Mass: 350.1179395
  • Complexity: 347
  • Rotatable Bond Count: 9
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Topological Polar Surface Area: 112
  • Heavy Atom Count: 22
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
5. Recommended Suppliers
Global12SuppliersView all >>
  • Products:Ranitidine Hcl, 1,2-Methylenedioxybenzene, Heliotropin, 1-methyl-aminomethyl-naphthalene, and polyimide new monomers series (BPDA, ODPA)
  • Tel:86-311-83098086
Ranitidine hydrochloride 70956-04-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 17 USD/kilogram
  • Time: 2018/01/12
Inquire
  • Products:APIs and intermediates
  • Tel:86-571-85241926
Ranitidine HCl
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
Inquire
  • Tel:+86-571-85134551
Ranitidine HCl
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
  • Products:Arbidol Hydrochloride API, Arbidol Hydrochloride Intermediate. Ivermectin,Abamectin, Emamectin Benzoate. Propionic acid,Sulfanilic acid.Ethyl acetate. Ethacridin lacctat.
  • Tel:86-311-67305730
Ranitidine HCL
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2013/05/28
Inquire
  • Products:building blocks, synthetic intermediates, custom synthesis
  • Tel:1-631-5046093
Ranitidine HCl
  • Purity:99%Packing: 200kg/bag FOB
  • Price: Inquiry USD/gram
  • Time: 2016/03/29
Inquire