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Molecule
Isopropylamine
CAS: 75-31-0 · C3H9N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75-31-0
- Molecular Formula
- C3H9N
- Molecular Mass
- 59.11 g/mol
Identifiers
CAS Registry Number
75-31-0
SMILES
CC(C)N
InChI Key
JJWLVOIRVHMVIS-UHFFFAOYSA-N
InChI
InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
Names and Synonyms
- Isopropylamine Common Name
- 2-Propanamine Synonym
- Isopropylamine Synonym
- 2-Aminopropane Synonym
- Monoisopropylamine Synonym
- 2-Propylamine Synonym
- sec-Propylamine Synonym
- 1-Methylethylamine Synonym
- NSC 62775 Synonym
- Propan-2-ylamine Synonym
- 2-Isopropylamine Synonym
- Propan-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 59.11 g/mol | CAS Common Chemistry |
| 59.111999999999995 g/mol | RDKit | |
| 59.112 g/mol | RDKit | |
| Density | 0.69 g/cm³ | CAS Common Chemistry |
| 0.694 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropylamine | CAS Common Chemistry |
| Boiling Point | 33-34 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JJWLVOIRVHMVIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -101 °C | CAS Common Chemistry |
| Name | Isopropylamine | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.35350000000000004 | RDKit |
| 0.3535 | RDKit | |
| Molar Refractivity | 19.323400000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 59.073499288 g/mol | RDKit |
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 = 59.11 g/mol; density = 0.690 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9N.
