1-Isopropyl-3-methylazetidine
Basic information
- CAS
55683-33-5- Standard SMILES
CC1CN(C(C)C)C1- InChIKey
KPNYOOMMOWCAND-UHFFFAOYSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Names & identifiers
- Preferred name
- 1-Isopropyl-3-methylazetidine
- IUPAC
- 3-methyl-1-propan-2-ylazetidine
- English name
- 3-Methyl-1-(1-methylethyl)azetidine
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
1-Isopropyl-3-methylazetidine55683-33-5Azetidine, 3-methyl-1-(1-methylethyl)-DTXSID80302059RefChem:231175DTXCID80253193KPNYOOMMOWCAND-UHFFFAOYSA-N3-methyl-1-(propan-2-yl)azetidineNSC148267SCHEMBL680201SCHEMBL292331851-Isopropyl-3-methylazetidine #
Show more names
3-Methyl-1-(1-methylethyl)azetidine
NSC-148267
Database identifiers
- CAS
55683-33-5- PubChem CID
- 287985
- DTXSID
DTXSID80302059- Nikkaji
- J113.099D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.5
Physicochemical properties
- Boiling point
- 118 · 118.0±8.0 °C(Predicted)
- Density
- 0.843 · 0.843±0.06 g/cm3(Predicted)
- pka
- 10 · 10.00±0.10(Predicted)
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Related reactions
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Compound notes
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