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