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Molecule
Bis(3-Aminopropyl)Methylamine
CAS: 105-83-9 · C7H19N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 105-83-9
- Molecular Formula
- C7H19N3
- Molecular Mass
- 145.25 g/mol
Identifiers
CAS Registry Number
105-83-9
SMILES
CN(CCCN)CCCN
InChI Key
KMBPCQSCMCEPMU-UHFFFAOYSA-N
InChI
InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
Names and Synonyms
- Bis(3-Aminopropyl)Methylamine Common Name
- 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl- Synonym
- Dipropylamine, 3,3′-diamino-N-methyl- Synonym
- 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl- Synonym
- N1-(3-Aminopropyl)-N1-methyl-1,3-propanediamine Synonym
- Bis(γ-aminopropyl)methylamine Synonym
- Bis(ω-aminopropyl)methylamine Synonym
- Bis(3-aminopropyl)methylamine Synonym
- N,N-Bis(γ-aminopropyl)methylamine Synonym
- N,N-Bis(3-aminopropyl)methylamine Synonym
- 3,3′-Diamino-N-methyldipropylamine Synonym
- Methylbis(3-aminopropyl)amine Synonym
- N-Methyl-N,N-bis(3-aminopropyl)amine Synonym
- Methyliminobispropylamine Synonym
- 5-Methyldipropylenetriamine Synonym
- N-Methyliminobis[propylamine] Synonym
- Di(γ-aminopropyl)methylamine Synonym
- 4-Aza-4-methylheptane-1,7-diamine Synonym
- 3,3′-Methyliminobispropylamine Synonym
- N-(3-Aminopropyl)-N-methyl-1,3-propanediamine Synonym
- N′-Methyldipropylenetriamine Synonym
- N-Methyliminobis[1-propanamine] Synonym
- 1,7-Diamino-4-methyl-4-azaheptane Synonym
- N′-Methyl-3,3′-diaminodipropylamine Synonym
- 5-Methyl-1,5,9-triazanonane Synonym
- NSC 8173 Synonym
- 1,7-Diamino-4-aza(methyl)heptane Synonym
- N,N′-Bis(3-aminopropyl)methylamine Synonym
- 3,3′-Diamino-N-methyldipropylmine Synonym
- (7-Amino-4-methyl-4-azaheptyl)amine Synonym
- N,N-Bis(aminopropyl)methylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.25 g/mol | CAS Common Chemistry |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9023 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 232.5 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCN(C)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KMBPCQSCMCEPMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(3-aminopropyl)methylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.28 Ų | RDKit |
| 55.05 Ų | chempirical lib | |
| LogP | -0.3841999999999987 | RDKit |
| -0.3842 | RDKit | |
| Molar Refractivity | 44.839800000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 145.15789760799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 145.25 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H19N3.
