Cas no 3649-02-3 (3-(3,5-dimethylphenoxy)propanenitrile)

3-(3,5-dimethylphenoxy)propanenitrile structure
3649-02-3 structure
Product Name:3-(3,5-dimethylphenoxy)propanenitrile
CAS No:3649-02-3
MF:C11H13NO
MW:175.227022886276
CID:921390
PubChem ID:305265
Update Time:2025-04-19

3-(3,5-dimethylphenoxy)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(3,5-dimethylphenoxy)propanenitrile
    • MixCom1_000326; AC1L76K5; SureCN3725376; 3-(3,5-Dimethyl-phenoxy)-propionitril; NSC202025; ZINC01735929; XBX00211; Maybridge1_000172;
    • Maybridge1_000172
    • MixCom1_000326
    • NSC-202025
    • 3-(3,5-dimethyl-phenoxy)-propionitrile
    • SCHEMBL3725376
    • AKOS000182780
    • DB-217618
    • DTXSID10308089
    • FAMVYTPKIAGELT-UHFFFAOYSA-N
    • 3649-02-3
    • NSC202025
    • Inchi： 1S/C11H13NO/c1-9-6-10(2)8-11(7-9)13-5-3-4-12/h6-8H,3,5H2,1-2H3
    • InChI Key： FAMVYTPKIAGELT-UHFFFAOYSA-N
    • SMILES： O(CCC#N)C1C=C(C)C=C(C)C=1

Computed Properties

  • Exact Mass: 175.09979
  • Monoisotopic Mass: 175.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • 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: 2.3
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1.016
  • Boiling Point: 328.6°C at 760 mmHg
  • Flash Point: 138.7°C
  • Refractive Index: 1.512
  • PSA: 33.02
  • LogP: 2.59588

3-(3,5-dimethylphenoxy)propanenitrile Related Literature

Related Categories

3649-02-3 (3-(3,5-dimethylphenoxy)propanenitrile) Related Products

Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.