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2-Pyrrolidinemethanamine
CAS: 57734-57-3 | C5H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57734-57-3
Molecular Formula:
C5H12N2
Molecular Mass:
100.17 g/mol
Names and Synonyms:
2-Pyrrolidinemethanamine
2-Pyrrolidinemethanamine
2-(Aminomethyl)pyrrolidine
1-(Pyrrolidin-2-yl)methanamine
Pyrrolidin-2-ylmethanamine
Identifiers:
SMILES:
NCC1CCCN1
InChI:
InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2
Key Properties
Boiling Point
65 °C @ Press: 11 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.17 g/mol | CAS Common Chemistry |
| 100.165 g/mol | RDKit | |
| 100.10004838399999 g/mol | RDKit | |
| Boiling Point | 65 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | NCC1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AUKXFNABVHIUAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Pyrrolidinemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | -0.30290000000000034 | RDKit |
| Molar Refractivity | 30.079099999999993 | RDKit |
