Product Name

  • Name

    N-(tert-Butoxycarbonyl)-2-aminoacetonitrile

  • EINECS
  • CAS No. 85363-04-8
  • Article Data22
  • CAS DataBase
  • Density 1.1832 (rough estimate)
  • Solubility
  • Melting Point 53-57 ºC
  • Formula C7H12 N2 O2
  • Boiling Point 186 ºC
  • Molecular Weight 156.184
  • Flash Point >110 ºC
  • Transport Information
  • Appearance
  • Safety S36
  • Risk Codes R20/21/22   
  • Molecular Structure Molecular Structure of 85363-04-8 (N-(tert-Butoxycarbonyl)-2-aminoacetonitrile)
  • Hazard Symbols
  • Synonyms Carbamicacid, (cyanomethyl)-, 1,1-dimethylethyl ester (9CI);(tert-Butoxycarbonylamino)acetonitrile; N-Boc-2-aminoacetonitrile;N-tert-Butoxycarbonylaminoacetonitrile; tert-Butyl (cyanomethyl)carbamate
  • PSA 62.12000
  • LogP 1.42558

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile Chemical Properties

Molecular Structure of N-(tert-Butoxycarbonyl)-2-aminoacetonitrile (CAS No.85363-04-8):

Molecular Formula: C7H12N2O2 
Molecular Weight: 156.1824
CAS No: 85363-04-8
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 53.33 Å2
Index of Refraction: 1.443
Molar Refractivity: 39.72 cm3
Molar Volume: 149.8 cm3
Surface Tension: 35.9 dyne/cm
Density: 1.042 g/cm3
Flash Point: 116.1 °C
Enthalpy of Vaporization: 50.65 kJ/mol
Boiling Point: 268.4 °C at 760 mmHg
Vapour Pressure: 0.00769 mmHg at 25°C
InChI: InChI=1/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)
InChIKey: SMZKPZXYDDZDJG-UHFFFAOYAO
Std. InChI: InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)
Std. InChIKey: SMZKPZXYDDZDJG-UHFFFAOYSA-N
Systematic Name: Tert-butyl (cyanomethyl)carbamate
Product Categories: N-BOC;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36 
S36:Wear suitable protective clothing.
WGK Germany: 3

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile Specification

  N-(tert-Butoxycarbonyl)-2-aminoacetonitrile (CAS No.85363-04-8), its synonyms are Carbamic acid, N-(cyanomethyl)-, 1,1-dimethylethyl ester ; Tert-Butyl (cyanomethyl)carbamate ; Carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl ester .

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