Cas no 194032-32-1 (tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate)

tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate structure
194032-32-1 structure
Product Name:tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate
CAS No:194032-32-1
MF:C11H22N2O2
MW:214.304583072662
MDL:MFCD09840678
CID:844827
PubChem ID:29981001
Update Time:2025-09-27

tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-1-BOC-2-METHYL-[1,4]DIAZEPANE
    • (S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
    • Hexahydro-2(S)-methyl-4-(t-butoxycarboxyl)-1,4-diazepine
    • tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate
    • (3S)-Hexahydro-3-methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester
    • (S)-1-BOC-3-METHYL-[1,4]DIAZEPANE
    • 1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID,HEXAHYDRO-3-METHYL-,1,1-DIMETHYLETHYL ESTER,(3S)
    • tert-butyl (S)-3-methyl-1,4-diazepane-1-carboxylate
    • (S)-tert-butoxyl-3-Methyl-1-carbonyl-1,4-diazepine
    • (3S)-tert-butoxyl-3-Methyl-1-carbonyl-1,4-diazepine
    • (S)-tert-butyl-3-Methyl-1,4-diazepane-1-carboxylate
    • 2-Methyl-2-propanyl3-methyl-1,4-diazepane-1-carboxylate
    • (S)-Hexahydro-3-methyl-1H-1,4-Diazepine-1-carboxylic acid tert-butyl ester
    • MFCD09840678
    • SCHEMBL31540
    • (S)-tert-butyl 3-Methyl-1,4-diazepane-
    • (S)-TERT-BUTYL3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE
    • CS-B1036
    • GDTFCUXOVITPHU-VIFPVBQESA-N
    • (S)-1-Boc-3-methyl-1,4-diazepane
    • DB-102401
    • 194032-32-1
    • DS-10133
    • AKOS025296378
    • MDL: MFCD09840678
    • Inchi: 1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
    • InChI Key: GDTFCUXOVITPHU-VIFPVBQESA-N
    • SMILES: O(C(N1CCCN[C@@H](C)C1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 214.16800
  • 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: 1
  • Undefined Atom Stereocenter Count : 0
  • 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
  • Boiling Point: 288 oC
  • Flash Point: 128 oC
  • PSA: 41.57000
  • LogP: 1.87200

tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate Security Information

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