Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed M   > MLS000402247
74596-10-4 structure

MLS000402247

Iupac Name:2-methyl-4a,5,6,7-tetrahydro-3H-pyrrolo[1,2-c]pyrimidine-1,4-dione
CAS No.:74596-10-4
Molecular Weight:168.196
Molecular Formula:C12H8BR2N2 (isomer)
Names and Identifiers
Synonyms

2-(1-adamantyl)-n-(1-iminoisoindolin-2-yl)acetamide 2-(1-adamantyl)-n-(3-azanylidene-1h-isoindol-2-yl)ethanamide 2-(1-adamantyl)-n-(3-imino-1h-isoindol-2-yl)acetamide 2-(adamantan-1-yl)-n-(1-imino-2,3-dihydro-1h-isoindol-2-yl)acetamide AC1N7V1X bdbm52471 CHEMBL1365391 cid_4308688 HMS1790E01 HMS2545F20 MCULE-1399266204 MOLPORT-004-837-882 smr000263874 sr-01000052455 SR-01000052455-1 T5238996 Z55668252 ZINC6476251

Inchi
InChI=1S/C8H12N2O2/c1-9-5-7(11)6-3-2-4-10(6)8(9)12/h6H,2-5H2,1H3
InChkey
BJJWDHFKBBTZAD-UHFFFAOYSA-N
Canonical Smiles
CN1CC(=O)C2CCCN2C1=O
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

Computational chemical data
  • Molecular Weight:168.196g/mol
  • Molecular Formula:C12H8BR2N2
  • Compound Is Canonicalized:True
  • Exact Mass:168.09
  • Monoisotopic Mass:168.09
  • Complexity:239
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.6A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgAAAAAHgAAAAAACCzBgAQDAAMAAAAI AIAQEAAAAAAAAAAAAAGIAACAABIAwCAEAAAIBgKAAAEYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
 
<