2-methylaziridine

• ChemBase ID: 129136
• Molecular Formular: C3H7N
• Molecular Mass: 57.09438
• Monoisotopic Mass: 57.05784923
• SMILES: N1C(C)C1
• Canonical SMILES: CC1CN1
• InChI: InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3
• InChIKey: OZDGMOYKSFPLSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylaziridine
• IUPAC Traditional name: 2-methylaziridine
• Synonyms: 1,2-Propylenimine; Propyleneimine; Propyleneimine; 2-Methylaziridine; 2-Methylaziridine; 2-Methylethylenimine; DL-2-Methylaziridine; NSC 20655; Propylenimine; 丙烯亚胺; 2-甲基氮丙啶

Database IDs

• CAS Number: 75-55-8
• EC Number: 200-878-7; 613-033-00-6
• MDL Number: MFCD00005118
• Beilstein Number: 102386
• PubChem SID: 162223435; 24857707
• PubChem CID: 6377
• Chemspider ID: 6137
• Wikipedia Title: Propyleneimine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3308036
• LogD (pH = 7.4): -0.6015452
• Log P: 0.05217161
• Molar Refractivity: 17.1432 cm^3
• Polarizability: 7.059403 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Melting Point: -63°C
• Boiling Point: 66-67 °C(lit.); 67°C
• Flash Point: -10 °C; 14 °F; -4°C (24.8°F)
• Density: 0.808 g/mL at 25 °C(lit.); 0.9 g/mL
• Refractive Index: n20/D 1.4125(lit.)
• Vapor Pressure: 140 mmHg ( 25 °C)

Safety Information

• RTECS: CM8050000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Highly toxic (T+)
• UN Number: 1921; 1921 (inhibited)
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 45-11-26/27/28-35-51/53; R45-R11-R26/27/28-R41
• Safety Statements: 53-26-28-36/37/39-45-61; S53-S45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H300-H310-H314-H330-H350-H411
• GHS Precautionary statements: P201-P210-P260-P264-P273-P280
• RID/ADR: UN 1921 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%
• Grade: technical grade
• Contains: sodium hydroxides as stabilizer
• Empirical Formula (Hill Notation): C3H7N

DETAILS

Sigma Aldrich - 294160

Packaging
5, 100 mL in glass bottle

Toronto Research Chemicals - P836900

The renal papillary toxin.

REFERENCES

• Guengerich, F., et al.: Drug Metab. Dispos., 25, 1234 (1997)
• Mekenyan, O., et al.: Toxicol. Sci., 58, 270 (1997)
• Westwood, I., et al.: Biochem. J., 385, 605 (1997)