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3-Aminooxetane

CAS: 21635-88-1 | C3H7NO

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 21635-88-1
Molecular Formula: C3H7NO
Molecular Weight: 73.095 g/mol

Names and Synonyms:

3-Aminooxetane Synonym
3-Oxetanamine Synonym
3-Oxetanamine Synonym
(Oxetan-3-yl)amine Synonym

Identifiers:

SMILES:
NC1COC1
InChI:
InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 73.095 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 73.052763844 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 5 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 35.25 Ų RDKit

Physical Properties

Property Value Source
LogP -0.6561000000000001 RDKit
molecular_mass 73.10 g/mol Legacy Database
cas-boiling-point 50-82 °C @ Press: 60-70 Torr None Legacy Database
cas-canonical-smile O1CC(N)C1 None Legacy Database
cas-inchi InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2 None Legacy Database
cas-inchi-key InChIKey=OJEOJUQOECNDND-UHFFFAOYSA-N None Legacy Database
cas-name 3-Oxetanamine None Legacy Database

Molar

Property Value Source
Molar Refractivity 18.794399999999996 RDKit

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