Cas no 40871-00-9 (methyl 3-(benzylamino)butanoate)

methyl 3-(benzylamino)butanoate structure
40871-00-9 structure
Product Name:methyl 3-(benzylamino)butanoate
CAS No:40871-00-9
MF:C12H17NO2
MW:207.268883466721
MDL:MFCD12131728
CID:2633411
PubChem ID:13416927
Update Time:2025-04-21

methyl 3-(benzylamino)butanoate Chemical and Physical Properties

Names and Identifiers

    • methyl 3-(benzylamino)butanoate
    • CS-0124854
    • (+)-Methyl 3-(benzylamino)butanoate
    • BNNDKMWWUARZGQ-UHFFFAOYSA-N
    • AKOS009569738
    • F1911-3077
    • SCHEMBL891954
    • SB76830
    • methyl (-)-3-(benzylamino)butanoate
    • DB-171989
    • AS-36852
    • 507444-65-7
    • MFCD12131728
    • METHYL3-(BENZYLAMINO)BUTANOATE
    • 40871-00-9
    • MDL: MFCD12131728
    • Inchi: 1S/C12H17NO2/c1-10(8-12(14)15-2)13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
    • InChI Key: BNNDKMWWUARZGQ-UHFFFAOYSA-N
    • SMILES: O(C)C(CC(C)NCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 207.125928785g/mol
  • Monoisotopic Mass: 207.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Liquid

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