Cas no 42149-77-9 ( )

  structure
  structure
Product Name: 
CAS No:42149-77-9
MF:C8H11N3O
MW:165.192441225052
CID:927823
PubChem ID:305401
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • AG-F-49870; AC1L76R5; N,N-Bis-(2-cyan-aethyl)-acetamid; NSC202177; Acetyl-bis-< 2-cyan-ethyl> -amin; 3.3'-Acetylimino-dipropionitril; AKOS009106246; Essigsaeure< bis-(2-cyan-aethyl)-amid> ; CTK4I5762; N,N-bis-(2-cyano-ethyl)-acetamide; N-Acetyl-iminodipropionitril;
    • 42149-77-9
    • AKOS009106246
    • DS-011719
    • NSC-202177
    • NSC202177
    • SCHEMBL1344184
    • N,N-bis(2-cyanoethyl)acetamide
    • DTXSID90308103
    •  
    • MDL: MFCD04277951
    • Inchi: 1S/C8H11N3O/c1-8(12)11(6-2-4-9)7-3-5-10/h2-3,6-7H2,1H3
    • InChI Key: YSPPZFZYYWAMRV-UHFFFAOYSA-N
    • SMILES: O=C(C)N(CCC#N)CCC#N

Computed Properties

  • Exact Mass: 165.09033
  • Monoisotopic Mass: 165.090211983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 222
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.9
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • PSA: 67.89
Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
煙臺(tái)朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.