Cas no 215589-37-0 (2-Ethynyl-4-methylaniline)

2-Ethynyl-4-methylaniline structure
2-Ethynyl-4-methylaniline structure
Product Name:2-Ethynyl-4-methylaniline
CAS No:215589-37-0
MF:C9H9N
MW:131.174462080002
MDL:MFCD11036439
CID:243148
PubChem ID:640759
Update Time:2025-04-19

2-Ethynyl-4-methylaniline Chemical and Physical Properties

Names and Identifiers

    • 2-Ethynyl-4-methylaniline
    • Benzenamine,2-ethynyl-4-methyl-
    • 2-Amino-5-methylphenylacetylene
    • 2-ethynyl-4-methylbenzenamine
    • 2-ethynyl-4-methylphenylamine
    • 2-hydroxy-5-methylphenylacetylene
    • 4-methyl-2-ethynylaniline
    • AC1LD1EX
    • CTK4E7127
    • ethynylmethylaniline
    • VCOACWPANOYCBP-UHFFFAOYSA-N
    • benzenamine, 2-ethynyl-4-methyl-
    • 0962AB
    • SBB085785
    • RP09717
    • SCHEMBL12225260
    • DTXSID50348803
    • AKOS005073445
    • C74053
    • J-509342
    • InChI=1/C9H9N/c1-3-8-6-7(2)4-5-9(8)10/h1,4-6H,10H2,2H
    • MFCD11036439
    • MD-0015
    • 215589-37-0
    • CS-0158574
    • A912260
    • Benzenamine, 2-ethynyl-4-methyl- (9CI)
    • MDL: MFCD11036439
    • Inchi: 1S/C9H9N/c1-3-8-6-7(2)4-5-9(8)10/h1,4-6H,10H2,2H3
    • InChI Key: VCOACWPANOYCBP-UHFFFAOYSA-N
    • SMILES: NC1C=CC(C)=CC=1C#C

Computed Properties

  • Exact Mass: 131.07357
  • Monoisotopic Mass: 131.073499291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 153
  • 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: 1.6
  • Topological Polar Surface Area: 26

Experimental Properties

  • PSA: 26.02

2-Ethynyl-4-methylaniline Security Information

  • Signal Word:Warning
  • Hazard Statement: H319
  • Warning Statement: P305+P351+P338
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • Storage Condition:Keep in dark place,Sealed in dry,2-8°C

2-Ethynyl-4-methylaniline Pricemore >>

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