1-Methylaziridine
Basic information
- CAS
1072-44-2- Standard SMILES
CN1CC1- InChIKey
XLJQPXVBQNJNLW-UHFFFAOYSA-N- Molecular formula
- C3-H7-N
- Average molar mass
- 57.09 g/mol
- Monoisotopic mass
- 57.05784923
Names & identifiers
- Preferred name
- 1-Methylaziridine
- IUPAC
- 1-methylaziridine
- English name
- Methylaziridine, 1-
- Molecular formula
- C3H7N
- Molecular weight
- 57.09
Names & synonyms
1-METHYLAZIRIDINEAziridine, 1-methyl-1072-44-2BRN 0102381DTXSID601479405-20-01-00007 (Beilstein Handbook Reference)NMethylaziridineNMethylethylenimine1MethylethylenimineAziridine, 1methylRefChem:76366DTXCID6070431
Show more names
Thiopai Impurity 6Gallic Acid Impurity 3Triethylenethiophosphoramide 1
InChI=1/C3H7N/c1-4-2-3-4/h2-3H2,1HXLJQPXVBQNJNLW-UHFFFAOYSA-NN-MethylaziridineN-Methylethylenimine1-MethylethylenimineMethylaziridine, 1-TL 37aziridine, N-methyl-
Database identifiers
- CAS
1072-44-2- PubChem CID
- 14073
- DTXSID
DTXSID60147940- ChEMBL
CHEMBL2448851- Nikkaji
- J132.785B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 22.5
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density0.7572 @ 19°C
Boiling Point27.5 °C @760 [mm Hg]
Physical DescriptionBoiling point = 27.5 deg C; [ChemIDplus]
Dissociation Constants7.9
Physicochemical properties
- Boiling point
- 27.55 °C · 27.55°C
- Density
- 0.7572 · 0.7572
- refractive index
- 1.3885 · 1.3885 (estimate)
- pka
- 7.8 · 7.80±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Ethyleneimine and Propyleneimine.
Safety & protection
Protective Action Criteria (PAC)
0.42 [ppm]
4.6 [ppm]
9.9 [ppm]
Toxicology
Toxicity DataLC (mouse) > 2,000 mg/m3/10min
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Related reactions
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Compound notes
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