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Molecule
1-Pyrrolidineethanamine
CAS: 7154-73-6 · C6H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7154-73-6
- Molecular Formula
- C6H14N2
- Molecular Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
7154-73-6
SMILES
NCCN1CCCC1
InChI Key
WRXNJTBODVGDRY-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2
Names and Synonyms
- 1-Pyrrolidineethanamine Synonym
- 1-Pyrrolidineethanamine Synonym
- Pyrrolidine, 1-(2-aminoethyl)- Synonym
- 2-(1-Pyrrolidinyl)ethylamine Synonym
- 1-(2-Aminoethyl)pyrrolidine Synonym
- 2-Pyrrolidinoethyl amine Synonym
- N-(2-Aminoethyl)pyrrolidine Synonym
- Pyrrolidinoethanamine Synonym
- Pyrrolidinoethylamine Synonym
- N-(2′-Aminoethyl)pyrrolidine Synonym
- N-Aminoethylpyrrolidine Synonym
- 2-(1-Pyrrolidinyl)ethanamine Synonym
- NSC 73740 Synonym
- 2-(Pyrrolidino)ethanamine Synonym
- N-[2-(Pyrrolidin-1-yl)ethyl]amine Synonym
- 2-(Pyrrolidin-1-yl)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.192 g/mol | RDKit | |
| Boiling Point | 66-70 °C | CAS Common Chemistry |
| Canonical SMILES | NCCN1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WRXNJTBODVGDRY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 219 °C (decomp) | CAS Common Chemistry |
| Name | 1-Pyrrolidineethanamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.040899999999999714 | RDKit |
| 0.0409 | RDKit | |
| Molar Refractivity | 34.72839999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.11569844799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
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| Shift (ppm) | DEPT | Assignment |
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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
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MW = 114.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2.
