Cas no 1035226-84-6 (tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate)

tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate structure
1035226-84-6 structure
Product Name:tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate
CAS No:1035226-84-6
MF:C11H22N2O2
MW:214.304583072662
MDL:MFCD08437660
CID:1025475
PubChem ID:50999125
Update Time:2025-04-20

tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-Butyl 2-methyl-1,4-diazepane-1-carboxylate
    • (2S)-Hexahydro-2-methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester
    • (S)-1-Boc-2-methyl-[1,4]diazepane
    • (S)-2-METHYL-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • tert-butyl (S)-2-methyl-1,4-diazepane-1-carboxylate
    • (R)-1-Boc-2-methyl-[1,4]diazepane
    • (S)-1-Boc-Hexahydro-2-methyl-1,4-diazepine
    • 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-2-methyl-, 1,1-dimethylethyl ester, (2S)-
    • tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate
    • BCP11119
    • SB13048
    • FCH3641326
    • CM14404
    • AM84665
    • (S)-1-N-Boc-2-Methyl-1,4-diazepane
    • AX8226600
    • ST24020889
    • X8666
    • J1247
    • (S)-1-
    • AKOS015998804
    • AC-30711
    • MFCD08437660
    • DB-310464
    • DTXSID40679416
    • 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-2-methyl-, 1,1-dimethylethyl ester, (2S)-; 1,1-Dimethylethyl (2S)-hexahydro-2-methyl-1H-1,4-diazepine-1-carboxylate; (S)-1-Boc-2-methyl-[1,4]diazepane; (S)-tert-Butyl 2-methyl-1,4-diazepane-1-carboxylate; tert
    • CS-0142052
    • SCHEMBL25212939
    • HEXAHYDRO-2(S)-METHYL-4-(TERT-BUTOXYCARBOXYL)-1,4-DIAZEPINE
    • AS-30367
    • AC-30966
    • J-000991
    • 1035226-84-6
    • CS-W000366
    • (S)-1-Boc-2-methyl-[1,4]diazepane, AldrichCPR
    • (S)-1-Boc-2-methyl-[1 pound not4]diazepane
    • MDL： MFCD08437660
    • Inchi： 1S/C11H22N2O2/c1-9-8-12-6-5-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
    • InChI Key： FPUHWSHGYILARO-VIFPVBQESA-N
    • SMILES： O(C(C)(C)C)C(N1CCCNC[C@@H]1C)=O

Computed Properties

  • Exact Mass: 214.16800
  • Monoisotopic Mass: 214.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 223
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.6
  • XLogP3: 1.2

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),
  • PSA: 41.57000
  • LogP: 1.87200

tert-butyl (2S)-2-methyl-1,4-diazepane-1-carboxylate Pricemore >>

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