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(-)-3-Aminopyrrolidine
CAS: 128345-57-3 | C4H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
128345-57-3
Molecular Formula:
C4H10N2
Molecular Weight:
86.13799999999999 g/mol
Names and Synonyms:
(-)-3-Aminopyrrolidine
Synonym
3-Pyrrolidinamine, (3S)-
Synonym
3-Pyrrolidinamine, (S)-
Synonym
(3S)-3-Pyrrolidinamine
Synonym
(3S)-(-)-3-Aminopyrrolidine
Synonym
(S)-3-Aminopyrrolidine
Synonym
(3S)-Aminopyrrolidine
Synonym
(3S)-3-Aminopyrrolidine
Synonym
(-)-3-Aminopyrrolidine
Synonym
(S)-(-)-3-Aminopyrrolidine
Synonym
(S)-Pyrrolidin-3-amine
Synonym
(3S)-Pyrrolidin-3-amine
Synonym
3-Pyrrolidinamine (3S)-
Synonym
Identifiers:
SMILES:
N[C@H]1CCNC1
InChI:
InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m0/s1
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.13799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 38.05 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6930000000000003 | RDKit |
| molecular_mass | 86.14 g/mol | Legacy Database |
| cas-boiling-point | 80-83 °C @ Press: 300 Torr None | Legacy Database |
| cas-canonical-smile | NC1CNCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=NGXSWUFDCSEIOO-BYPYZUCNSA-N None | Legacy Database |
| cas-name | (-)-3-Aminopyrrolidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.462099999999996 | RDKit |