2-aminoacetonitrile

• ChemBase ID: 125798
• Molecular Formular: C2H4N2
• Molecular Mass: 56.06656
• Monoisotopic Mass: 56.03744814
• SMILES: NCC#N
• Canonical SMILES: NCC#N
• InChI: InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
• InChIKey: DFNYGALUNNFWKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoacetonitrile
• IUPAC Traditional name: aminoacetonitrile
• Synonyms: Aminoacetonitrile; Aminoacetonitrile; 氰基甲胺; 甘氨酸腈; 氨基乙腈

Database IDs

• CAS Number: 540-61-4
• EC Number: 208-751-8
• MDL Number: MFCD00078890
• PubChem SID: 24891023; 162220145
• PubChem CID: 10901
• Chemspider ID: 10439
• MeSH Name: Aminoacetonitrile
• Unique Ingredient Identifier: 3739OQ10IJ
• Wikipedia Title: Aminoacetonitrile

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0293362
• LogD (pH = 7.4): -1.1300104
• Log P: -1.0895267
• Molar Refractivity: 14.9827 cm^3
• Polarizability: 5.788656 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Boiling Point: 58.05°C (331.2K)

Safety Information

• RTECS: AL7750000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-40; R20/21/22, R40
• Safety Statements: 23-36; S36
• GHS Pictograms: GHS exclamation mark; GHS health hazard; GHS07; GHS08
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 302, 312, 332, 351; H302-H312-H332-H351
• GHS Precautionary statements: 280; P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98%

DETAILS

Sigma Aldrich - A5802

包装
1 g in glass bottle