Cas no 454451-26-4 (tert-butyl N-(azepan-3-yl)carbamate)

tert-butyl N-(azepan-3-yl)carbamate structure
454451-26-4 structure
Product Name:tert-butyl N-(azepan-3-yl)carbamate
CAS No:454451-26-4
MF:C11H22N2O2
MW:214.304583072662
MDL:MFCD11506198
CID:876804
PubChem ID:20745759
Update Time:2025-04-19

tert-butyl N-(azepan-3-yl)carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl azepan-3-ylcarbamate
    • Carbamic acid, N-(hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester
    • N-(Hexahydro-1H-azepin-3-yl)carbaMic acid tert-butyl ester
    • CarbaMic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-diMethylethyl ester
    • (Hexahydro-1H-azepin-3-yl)-carbamic acid 1,1-dimethylethyl ester
    • N-(Hexahydro-1H-azepin-3-yl)-carbamic acid 1,1-dimethylethyl ester
    • 3-Boc-amino-azepane
    • N-Boc-3-aminoazepane
    • tert-butyl N-(azepan-3-yl)carbamate
    • Carbamic acid, (hexahydro-1H-azepin-3-yl)-, 1,1-dimethylethyl ester (9CI)
    • SCHEMBL555358
    • tert-butyl 3-azepanylcarbamate
    • DB-299260
    • SB18643
    • EN300-154328
    • MFCD11506198
    • 3-(Boc-amino)azepane
    • CS-0035890
    • NZEPWAXJSWYEDV-UHFFFAOYSA-N
    • tert-Butylazepan-3-ylcarbamate
    • AKOS015999989
    • SY036733
    • DB-115649
    • DS-6372
    • SB18644
    • (R)-3-(Boc-amino)azepane
    • 3-Boc-amino-azepane, AldrichCPR
    • (R)-3-Boc-amino-azepane
    • 454451-26-4
    • SY036715
    • DTXSID50609582
    • MFCD19686115
    • 3-(tert.-butyloxycarbonylamino)-hexahydroazepine
    • SB18645
    • MDL： MFCD11506198
    • Inchi： 1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)
    • InChI Key： NZEPWAXJSWYEDV-UHFFFAOYSA-N
    • SMILES： O(C(NC1CNCCCC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 214.16800
  • Monoisotopic Mass: 214.168127949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 211
  • 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: 1.4
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • Density: 1.01
  • Boiling Point: 323 oC
  • Flash Point: 149 oC
  • PSA: 50.36000
  • LogP: 2.37290
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

tert-butyl N-(azepan-3-yl)carbamate Security Information

tert-butyl N-(azepan-3-yl)carbamate 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%

tert-butyl N-(azepan-3-yl)carbamate Pricemore >>

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