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1-tert-Butyl-3-ethylcarbodiimide

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Name

1-tert-Butyl-3-ethylcarbodiimide

EINECS N/A
CAS No. 1433-27-8 Density 0.8 g/cm3
PSA 24.72000 LogP 1.97870
Solubility N/A Melting Point N/A
Formula C7H14N2 Boiling Point 146.5 °C at 760 mmHg
Molecular Weight 126.202 Flash Point 33.5 °C
Transport Information N/A Appearance N/A
Safety 16-26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 1433-27-8 (1-TERT-BUTYL-3-ETHYLCARBODIIMIDE) Hazard Symbols IrritantXi
Synonyms

N-tert-Butyl-N'-ethylcarbodiimide;2-Propanamine, N-(ethylcarbonimidoyl)-2-methyl-;

Article Data 4

1-tert-Butyl-3-ethylcarbodiimide Specification

The systematic name of this chemical is N-tert-butyl-N'-ethylcarbodiimide. With the CAS registry number 1433-27-8, it is also named as 2-Propanamine, N-(ethylcarbonimidoyl)-2-methyl-. The product's categories are Carbodiimides; Carbodiimides Synthetic Reagents; Coupling; Peptide Synthesis. In addition, 1-tert-Butyl-3-ethylcarbodiimide is stable under normal temperature and pressure. It should be stored in the ventilate place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 153.65; (6)ACD/BCF (pH 7.4): 153.65; (7)ACD/KOC (pH 5.5): 1278.57; (8)ACD/KOC (pH 7.4): 1278.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.72 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 40.7 cm3; (15)Molar Volume: 156.2 cm3; (16)Polarizability: 16.13×10-24 cm3; (17)Surface Tension: 24.8 dyne/cm; (18)Density: 0.8 g/cm3; (19)Flash Point: 33.5 °C; (20)Enthalpy of Vaporization: 36.77 kJ/mol; (21)Boiling Point: 146.5 °C at 760 mmHg; (22)Vapour Pressure: 5.84 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so it should be kept away from sources of ignition. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:N(=C=N/C(C)(C)C)\CC
2. InChI:InChI=1/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3
3. InChIKey:AXTNYCDVWRSOCU-UHFFFAOYAP
4. Std. InChI:InChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3 
5. Std. InChIKey:AXTNYCDVWRSOCU-UHFFFAOYSA-N

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