Cas no 2525-16-8 (2-methoxy-4,5,6,7-tetrahydro-3H-azepine)

2-methoxy-4,5,6,7-tetrahydro-3H-azepine structure
2525-16-8 structure
Product Name:2-methoxy-4,5,6,7-tetrahydro-3H-azepine
CAS No:2525-16-8
MF:C7H13NO
MW:127.184221982956
MDL:MFCD00006938
CID:258492
PubChem ID:75657
Update Time:2025-04-19

2-methoxy-4,5,6,7-tetrahydro-3H-azepine Chemical and Physical Properties

Names and Identifiers

    • 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
    • 1-Aza-2-methoxy-1-cycloheptene
    • 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-
    • 1-aza-2-methoxycycloheptene
    • 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy
    • 2-Methoxy-1-azacycloheptene
    • 4,5,6,7-tetrahydro-2-methoxy-3H-azepine
    • Caprolactim methyl ether
    • Caprolactim-O-methyl ether
    • O-METHYLCAPROLACTAM
    • O-Methylcaprolactim
    • O-Methylhexanolactim
    • NSC 31263
    • NSC 523095
    • O-Methyl-epsilon-caprolactim
    • epsilon-Caprolactim methyl ether
    • 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
    • 2-methoxy-4,5,6,7-tetrahydro-3H-azepine
    • .epsilon.-Caprolactim ether
    • O-Methyl-.epsilon.-caprolactim
    • 3,4,5,6-Tetrahydro-7-methoxy-2H-azepine
    • 1-Aza-2-methoxy-1-cycloheptane
    • DNXIQMQGKSQHPC-UHFFFAOYSA-N
    • 4,5,6,7-tetrahydr
    • MDL： MFCD00006938
    • Inchi： 1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3
    • InChI Key： DNXIQMQGKSQHPC-UHFFFAOYSA-N
    • SMILES： COC1CCCCCN=1

Computed Properties

  • Exact Mass: 127.10000
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 110
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.8
  • Topological Polar Surface Area: 21.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.887?g/mL?at 25?°C(lit.)
  • Boiling Point: 52-53?°C/18?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:123.8°F
    Degrees Celsius:51°C
  • Refractive Index: n20/D 1.463(lit.)
  • Solubility: Slightly soluble (8.5 g/l) (25 o C),
  • PSA: 21.59000
  • LogP: 1.04090
  • Solubility: Not determined

2-methoxy-4,5,6,7-tetrahydro-3H-azepine Security Information

  • Symbol: GHS02
  • Signal Word：Warning
  • Hazard Statement： H226
  • Hazardous Material transportation number：UN 1993 3/PG 3
  • WGK Germany：2
  • Hazard Category Code： 10
  • Safety Instruction： S16
  • Hazardous Material Identification： C
  • HazardClass：3.2
  • PackingGroup：III
  • Risk Phrases：R10
  • Packing Group：III
  • Safety Term：3.2
  • Packing Group：III
  • Hazard Level：3.2

2-methoxy-4,5,6,7-tetrahydro-3H-azepine Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-methoxy-4,5,6,7-tetrahydro-3H-azepine Pricemore >>

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