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Ethanamine, N-Methyl-, Hydrochloride (1:1)

CAS: 624-60-2 | C3H10ClN

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 624-60-2
Molecular Formula: C3H10ClN
Molecular Weight: 95.573 g/mol

Names and Synonyms:

Ethanamine, N-Methyl-, Hydrochloride (1:1) Synonym
Ethanamine, N-methyl-, hydrochloride (1:1) Synonym
Ethylamine, N-methyl-, hydrochloride Synonym
Ethanamine, N-methyl-, hydrochloride Synonym
N-Methylethylamine hydrochloride Synonym
Methylethylammonium chloride Synonym
Ethylmethylamine hydrochloride Synonym
N-Methylethanamine hydrochloride Synonym

Identifiers:

SMILES:
CCNC.Cl
InChI:
InChI=1S/C3H9N.ClH/c1-3-4-2;/h4H,3H2,1-2H3;1H

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

Physical Properties

Property Value Source
molecular_mass 95.57 g/mol Legacy Database
cas-canonical-smile Cl.N(C)CC None Legacy Database
cas-inchi InChI=1S/C3H9N.ClH/c1-3-4-2;/h4H,3H2,1-2H3;1H None Legacy Database
cas-inchi-key InChIKey=GEHLEADVHVVTET-UHFFFAOYSA-N None Legacy Database
cas-melting-point 128 °C None Legacy Database
cas-name Ethanamine, N-methyl-, hydrochloride (1:1) None Legacy Database
LogP 0.6475 RDKit

Molecular

Property Value Source
Molecular Weight 95.573 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 95.05017699999999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 5 count RDKit

Hydrogen

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

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 12.03 Ų RDKit

Molar

Property Value Source
Molar Refractivity 26.84869999999999 RDKit

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