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Bis(3-Aminopropyl)Methylamine
CAS: 105-83-9 | C7H19N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-83-9
Molecular Formula:
C7H19N3
Molecular Weight:
145.25 g/mol
Names and Synonyms:
Bis(3-Aminopropyl)Methylamine
(7-Amino-4-methyl-4-azaheptyl)amine
5-Methyl-1,5,9-triazanonane
N-Methyliminobis[propylamine]
Methyliminobispropylamine
N-Methyl-N,N-bis(3-aminopropyl)amine
Bis(3-aminopropyl)methylamine
Bis(γ-aminopropyl)methylamine
1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-
N,N-Bis(aminopropyl)methylamine
1,7-Diamino-4-aza(methyl)heptane
NSC 8173
N-Methyliminobis[1-propanamine]
4-Aza-4-methylheptane-1,7-diamine
Di(γ-aminopropyl)methylamine
5-Methyldipropylenetriamine
N,N-Bis(γ-aminopropyl)methylamine
N1-(3-Aminopropyl)-N1-methyl-1,3-propanediamine
3,3′-Diamino-N-methyldipropylmine
N′-Methyl-3,3′-diaminodipropylamine
1,7-Diamino-4-methyl-4-azaheptane
N′-Methyldipropylenetriamine
N-(3-Aminopropyl)-N-methyl-1,3-propanediamine
3,3′-Methyliminobispropylamine
Bis(ω-aminopropyl)methylamine
1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-
N,N′-Bis(3-aminopropyl)methylamine
Methylbis(3-aminopropyl)amine
3,3′-Diamino-N-methyldipropylamine
N,N-Bis(3-aminopropyl)methylamine
Dipropylamine, 3,3′-diamino-N-methyl-
Identifiers:
SMILES:
CN(CCCN)CCCN
InChI:
InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
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 | 145.25 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.15789760799998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 55.28 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3841999999999987 | RDKit |
| molecular_mass | 145.25 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 232.5 °C None | Legacy Database |
| cas-canonical-smile | NCCCN(C)CCCN None | Legacy Database |
| cas-density | 0.9023 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KMBPCQSCMCEPMU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Bis(3-aminopropyl)methylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.839800000000004 | RDKit |
