Cas no 1211595-59-3 (tert-butyl 6-methyl-1,4-diazepane-1-carboxylate)

tert-butyl 6-methyl-1,4-diazepane-1-carboxylate structure
1211595-59-3 structure
Product Name:tert-butyl 6-methyl-1,4-diazepane-1-carboxylate
CAS No:1211595-59-3
MF:C11H22N2O2
MW:214.304583072662
MDL:MFCD11616043
CID:842270
PubChem ID:52911215
Update Time:2024-11-03

tert-butyl 6-methyl-1,4-diazepane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-6-Methyl-1,4-diazepane
    • Hexahydro-6-methyl-1H-1,4-Diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester
    • tert-butyl 6-methyl-1,4-diazepane-1-carboxylate
    • 6-Methyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester
    • MFCD11616043
    • AKOS015842784
    • J-518872
    • F1913-0630
    • CS-0054824
    • EN300-223237
    • DA-19382
    • 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-6-methyl-, 1,1-dimethylethyl ester; 1,1-Dimethylethyl hexahydro-6-methyl-1H-1,4-diazepine-1-carboxylate; 1-Boc-6-Methyl-1,4-diazepane; tert-Butyl 6-methyl-1,4-diazepane-1-carboxylate; Hexahydro-6-methyl-1H-1,4
    • 1211595-59-3
    • PS-17403
    • SCHEMBL19888185
    • SY123435
    • PB25424
    • MDL: MFCD11616043
    • Inchi: 1S/C11H22N2O2/c1-9-7-12-5-6-13(8-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
    • InChI Key: KPOYZVQMOOKKQV-UHFFFAOYSA-N
    • SMILES: O(C(N1CCNCC(C)C1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 214.168127949g/mol
  • Monoisotopic Mass: 214.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 223
  • 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: 1.2
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 0.980±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 288.3±23.0 oC (760 Torr),
  • Flash Point: 128.2±22.6 oC,
  • Solubility: Slightly soluble (14 g/l) (25 o C),

tert-butyl 6-methyl-1,4-diazepane-1-carboxylate Pricemore >>

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