cyanodiethylamine

• ChemBase ID: 108068
• Molecular Formular: C5H10N2
• Molecular Mass: 98.1463
• Monoisotopic Mass: 98.08439833
• SMILES: CCN(CC)C#N
• Canonical SMILES: CCN(C#N)CC
• InChI: InChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3
• InChIKey: ZZTSQZQUWBFTAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyanodiethylamine
• IUPAC Traditional name: diethylcyanamide
• Synonyms: Diethylcyanamide; DIETHYLCYANAMIDE; N-氰基二乙基胺

Database IDs

• CAS Number: 617-83-4
• EC Number: 210-532-7
• MDL Number: MFCD00001769
• PubChem SID: 162093564; 24852806
• PubChem CID: 12050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.88430184
• LogD (pH = 7.4): 0.88430184
• Log P: 0.88430184
• Molar Refractivity: 30.4442 cm^3
• Polarizability: 10.917007 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 186-188 °C(lit.)
• Flash Point: 156.2 °F; 69 °C
• Density: 0.846 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.423(lit.)

Safety Information

• RTECS: GS6300000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 23/24/25-36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Pharmacology Properties

• Gene Information: human ... CTSB(1508), CTSK(1513), CTSL1(1514)

Product Information

• Purity: 99%
• Linear Formula: (C2H5)2NCN

DETAILS

MP Biomedicals - 05205953

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 213810

Packaging
10 g in glass bottle