Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceuticals and Biochemicals  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Others  /  Vitamins, Amino Acids and Coenzymes
3-oxo-2-trimethylsilyl-cyclobutane-carbonitrile structure
3-oxo-2-trimethylsilyl-cyclobutane-carbonitrile structure

3-oxo-2-trimethylsilyl-cyclobutane-carbonitrile

Iupac Name:3-(diaminomethylidene)-1,1-dimethylguanidine
CAS No.:657-24-9
Molecular Weight:129.167
1. Names and Identifiers
1.1 Name
3-oxo-2-trimethylsilyl-cyclobutane-carbonitrile
1.2 CAS No.
657-24-9
1.3 CID
4091
1.4 Molecular Formula
C16H14IN (isomer)
1.5 Inchi
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
1.6 InChkey
XZWYZXLIPXDOLR-UHFFFAOYSA-N
1.7 Canonical Smiles
CN(C)C(=N)N=C(N)N
1.8 Isomers Smiles
CN(C)C(=N)N=C(N)N
2. 3D Conformer
3. Properties
3.1 Refractive Index
1.5760 (estimate)
4. 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

5. Computational chemical data
  • Molecular Weight:129.167g/mol
  • Molecular Formula:C16H14IN
  • Compound Is Canonicalized:True
  • Exact Mass:129.101
  • Monoisotopic Mass:129.101
  • Complexity:132
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:91.5A^2
  • Heavy Atom Count:9
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBjgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAQAAAAAAAAAAQDAANAAAAg AAAAJAAAAAGAAAABAAAIAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
7. Recommended Suppliers
Global124SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
metformin Cas 657-24-9 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/06/25
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Metformin
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/11/27
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Metformin
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Pharmaceutical intermediates Pesticide intermediates Food Additives Custom synthesis
  • Tel:+86-311-85355123
  • Email:zhuangkai@zk-chem.com
Metformin
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/03/02
Inquire
  • Products:Pharmaceutical Intermediate; Pharmaceutical Raw Materials; Raw Steroid Powders; Raw Hormone Powders; etc
  • Tel:86-188-74586545
Imidodicarbonimidicdiamide, N,N-dimethyl-
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2019/03/26
Inquire