Cas no 842971-09-9 (3-(Azepan-1-yl)-2,2-dimethylpropanal)

3-(Azepan-1-yl)-2,2-dimethylpropanal structure
842971-09-9 structure
Product Name:3-(Azepan-1-yl)-2,2-dimethylpropanal
CAS No:842971-09-9
MF:C11H21NO
MW:183.290543317795
MDL:MFCD05022485
CID:716267
PubChem ID:3159034
Update Time:2025-09-27

3-(Azepan-1-yl)-2,2-dimethylpropanal Chemical and Physical Properties

Names and Identifiers

    • 3-(Azepan-1-yl)-2,2-dimethylpropanal
    • 1H-Azepine-1-propanal,hexahydro-a,a-dimethyl-
    • 3-(1-azepanyl)-2,2-dimethylpropanal(SALTDATA: FREE)
    • 3-AZEPAN-1-YL-2,2-DIMETHYL-PROPIONALDEHYDE
    • 3-(1-azepanyl)-2,2-dimethylpropanal
    • SCHEMBL15541721
    • MFCD05022485
    • 842971-09-9
    • 3-azepan-1-yl-2,2-dimethyl-propionaldehyde, AldrichCPR
    • 3-azepan-1-yl-2,2-dimethylpropanal
    • AKOS000302514
    • VS-03851
    • CS-0314525
    • DTXSID30390163
    • MDL： MFCD05022485
    • Inchi： 1S/C11H21NO/c1-11(2,10-13)9-12-7-5-3-4-6-8-12/h10H,3-9H2,1-2H3
    • InChI Key： GHKFJELKWCPRQO-UHFFFAOYSA-N
    • SMILES： O=CC(C)(C)CN1CCCCCC1

Computed Properties

  • Exact Mass: 183.162
  • Monoisotopic Mass: 183.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 158
  • 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: 1.8
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 0.917
  • Boiling Point: 260.8°C at 760 mmHg
  • Flash Point: 82.2°C
  • Refractive Index: 1.459
  • PSA: 20.31000
  • LogP: 2.02540

3-(Azepan-1-yl)-2,2-dimethylpropanal Security Information

  • Hazard Category Code： 22-50
  • Safety Instruction： 61
  • Hazardous Material Identification： Xi N Xn
  • HazardClass：IRRITANT

3-(Azepan-1-yl)-2,2-dimethylpropanal Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
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TRC
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TRC
B407513-100mg
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TRC
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abcr
AB217911-500 mg
3-(1-Azepanyl)-2,2-dimethylpropanal; 95%
 842971-09-9
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