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Molecule
1-(3-Aminopropyl)-4-Methylpiperazine
CAS: 4572-03-6 · C8H19N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4572-03-6
- Molecular Formula
- C8H19N3
- Molecular Mass
- 157.26 g/mol
Identifiers
CAS Registry Number
4572-03-6
SMILES
CN1CCN(CCCN)CC1
InChI Key
RGUABPVONIGVAT-UHFFFAOYSA-N
InChI
InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3
Names and Synonyms
- 1-(3-Aminopropyl)-4-Methylpiperazine Systematic Name
- 1-Piperazinepropanamine, 4-methyl- Synonym
- Piperazine, 1-(3-aminopropyl)-4-methyl- Synonym
- 4-Methyl-1-piperazinepropanamine Synonym
- 1-(3-Aminopropyl)-4-methylpiperazine Synonym
- N-Methyl-N′-(γ-aminopropyl)piperazine Synonym
- 3-(4-Methyl-1-piperazinyl)propylamine Synonym
- N-Methyl-N′-(3-aminopropyl)piperazine Synonym
- 4-(3-Aminopropyl)-1-methylpiperazine Synonym
- 3-(4-Methylpiperazino)propylamine Synonym
- NSC 60215 Synonym
- 3-(4-Methylpiperazin-1-yl)propan-1-amine Synonym
- N-[3-(4-Methyl-1-piperazinyl)propyl]amine Synonym
- 1-Methyl-4-(3-aminopropyl)piperazine Synonym
- 3-(4-Methylpiperazin-1-yl)propanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.26 g/mol | CAS Common Chemistry |
| 157.26099999999997 g/mol | RDKit | |
| 157.261 g/mol | RDKit | |
| Canonical SMILES | NCCCN1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RGUABPVONIGVAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(3-Aminopropyl)-4-methylpiperazine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.5 Ų | RDKit |
| 32.04 Ų | chempirical lib | |
| LogP | -0.41739999999999844 | RDKit |
| -0.4174 | RDKit | |
| Molar Refractivity | 47.60840000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 157.15789760799998 g/mol | RDKit |
| Boiling Point | 52 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
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MW = 157.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19N3.
