Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Post buying request
Sign in|Join Free   | ChS
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
3D Mol Similar
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
Request For Quotation
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 >>
Hebei Haili Fragrances Co.,Ltd
  • 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
Zhejiang Kaili Industrial Co., Ltd.
  • Products:APIs and intermediates
  • Tel:86-571-85241926
Ranitidine HCl
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
Inquire
Afine Chemicals Limited
  • Tel:+86-571-85134551
Ranitidine HCl
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
Hebei Loca Bio-Tech Co.,Ltd
  • 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
Boc Sciences
  • 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
Share
Tweet
Email
Directory
1. Names and Identifiers
1.1 Name
1.2 CAS No.
1.3 CID
1.4 Inchi
1.5 InChkey
1.6 Canonical Smiles
1.7 Isomers Smiles
2. Properties
3.1 Precise Quality
3.1 PSA
3.1 logP
3. Safety and Handling
4.1 Risk Statements
4.1 Safety Statements
4.1 WGK Germany
4.1 RTECS
4.NMR Spectrum
5.Computational chemical data
6.Recommended Suppliers
 
About Us | Service | Contact Guidechem | Feedback | CAS Index | Chemical Index | Dictionary | New Products | Mobile Site

Service Tel: +86-571-87759741, Marketing Tel: +86-571-89739798 Service2skype

Copyright©2010-2022 Guidechem 浙B2-20090288-37