(propan-2-yl)({[(propan-2-yl)imino]methylidene})amine

• ChemBase ID: 78350
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N(=C=NC(C)C)C(C)C
• Canonical SMILES: CC(N=C=NC(C)C)C
• InChI: InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3
• InChIKey: BDNKZNFMNDZQMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)({[(propan-2-yl)imino]methylidene})amine
• IUPAC Traditional name: diisopropylcarbodiimide
• Synonyms: N,N'-Diisopropylcarbodiimide; N,N′-Diisopropylcarbodiimide; N,N'-methanediylidenebis(propan-2-amine); 1,3-Di(prop-2-yl)carbodiimide; N,N'-Diisopropylcarbodiimide 99%; N,N′-Diisopropylcarbodiimide impregnated tablets; ChemDose™, N,N′-Diisopropylcarbodiimide tablets; DIC impregnated tablets; N,N′-Diisopropylcarbodiimide, ChemDose™ tablets; DIC; N,N'-DIISOPROPYLCARBODIIMIDE; N,N'-二异丙基碳二酰亚胺; N,N′-二异丙基碳二亚胺; N,N′-二异丙基碳二亚胺浸渍片; ChemDose™，N,N′-二异丙基碳二亚胺片剂; DIC 浸渍片; N,N′-二异丙基碳二亚胺，ChemDose™ 片剂

Database IDs

• CAS Number: 693-13-0
• EC Number: 211-743-7
• MDL Number: MFCD00065689
• Beilstein Number: 878281
• PubChem SID: 162043119; 24893388; 24885843; 24863984
• PubChem CID: 12734
• Chemspider ID: 12211
• Wikipedia Title: N,N'-Diisopropylcarbodiimide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7392178
• LogD (pH = 7.4): 1.740468
• Log P: 1.740484
• Molar Refractivity: 38.6268 cm^3
• Polarizability: 14.769711 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 145-148 °C; 145-148 °C(lit.); 145-148°C; 145-148°C
• Flash Point: 31 °C; 31°C; 33.8°C; 33°C(91°F); 87.8 °F
• Density: 0.806 g/ml; 0.806 g/mL; 0.810; 0.815; 0.815 g/mL at 20 °C; 0.815 g/mL at 20 °C(lit.)
• Refractive Index: 1.4330; n20/D 1.433(lit.)

Safety Information

• Storage Condition: 2-8°C, Desiccate
• Storage Warning: Highly Toxic/Flammable/Irritant/Stench/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS: FF2175000
• European Hazard Symbols: Flammable (F); Toxic (T); Highly toxic (T+); Harmful (Xn)
• UN Number: 2811; 2929; UN2929
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 1; II
• Australian Hazchem: 3WE
• Risk Statements: 10-26-36/37/38-41-42/43; 10-26-37/38-41-42/43; 37/38-41-42/43; R:10-22; R:10-25
• Safety Statements: 22-26-36/37/39-45; 26-36/37/39-45; 4-9-20-23-26-28-36/37/39-45; S:16-24-36/37/39-45-53; S:16-28-29-36/37/39-45
• EU Classification: TF1
• EU Hazard Identification Number: 6.1A
• Emergency Response Guidebook(ERG) Number: 131
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H315-H317-H318-H330-H334-H335; H315-H317-H318-H330-H334-H335; H330-H315-H317-H335-H334-H318-H226
• GHS Precautionary statements: P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P405-P501A; P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2811 6.1/PG 1; UN 2929 6.1/PG 1

Pharmacology Properties

• Gene Information: human ... EPHX2(2053)mouse ... Ephx2(13850)

Product Information

• Purity: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Matrix: Magnesium aluminometasilicate base material
• Linear Formula: (CH3)2CHN=C=NCH(CH3)2

DETAILS

MP Biomedicals - 05208044

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157755

1 ml = approx. 0.81 g
A substitute for dicyclohexylcarbodiimide in peptide synthesis.

Sigma Aldrich - D125407

Application
Alternative to dicyclohexylcarbodiimide in peptide synthesis.
Coupling reagent for peptide syntheses.1,2,3
Packaging
1 kg in glass bottle
10 kg in poly drum
5, 25, 100, 500 g in glass bottle

Sigma Aldrich - 685666

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Legal Information
Covered by International Patent Application No. PCT/DK05/000428 and related patent applications, including European Patent Application No. 05753717.7.
ChemDose is a trademark of Reaxa Ltd.

Sigma Aldrich - 38370

Application
Alternative to dicyclohexylcarbodiimide in peptide synthesis.

REFERENCES

• Benoiton, N.L. and Chen, F.M.F., Chem. Commun. , 543 (1981).
• Reagent for peptide coupling: J. Org. Chem., 44, 5000 (1979). Has the advantage over N,N'-Dicyclohexylcarbodiimide, A10973 in solid phase peptide syntheses that the urea by-product is more soluble in organic solvents and hence more readily separated from the polymer support. For peptide reagents, see Appendix 6.