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Molecule
(-)-3-Aminopyrrolidine
CAS: 128345-57-3 · C4H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 128345-57-3
- Molecular Formula
- C4H10N2
- Molecular Mass
- 86.14 g/mol
Identifiers
CAS Registry Number
128345-57-3
SMILES
N[C@H]1CCNC1
InChI Key
NGXSWUFDCSEIOO-BYPYZUCNSA-N
InChI
InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m0/s1
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.14 g/mol | CAS Common Chemistry |
| 86.13799999999999 g/mol | RDKit | |
| 86.138 g/mol | RDKit | |
| Canonical SMILES | NC1CNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NGXSWUFDCSEIOO-BYPYZUCNSA-N | CAS Common Chemistry |
| Name | (-)-3-Aminopyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | -0.6930000000000003 | RDKit |
| -0.693 | RDKit | |
| Molar Refractivity | 25.462099999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 86.08439831999999 g/mol | RDKit |
| Boiling Point | 80-83 °C @ 300 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 86.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10N2.
