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2-Propanamine, N-(2-Chloroethyl)-N-(1-Methylethyl)-, Hydrochloride (1:1)
CAS: 4261-68-1 | C8H19Cl2N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
4261-68-1
Molecular Formula:
C8H19Cl2N
Molecular Mass:
200.15 g/mol
Names and Synonyms:
2-Propanamine, N-(2-Chloroethyl)-N-(1-Methylethyl)-, Hydrochloride (1:1)
2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1)
Triethylamine, 2′′-chloro-1,1′-dimethyl-, hydrochloride
2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride
2-(Diisopropylamino)ethyl chloride hydrochloride
(β-Chloroethyl)diisopropylamine hydrochloride
N-(2-Chloroethyl)diisopropylamine hydrochloride
2-Chloroethyldiisopropylamine hydrochloride
2-Chloro-N,N-bis(isopropyl)ethanamine hydrochloride
2-(N,N-Diisopropylamino)ethyl chloride hydrochloride
N-(2-Chloroethyl)-N-isopropylpropan-2-amine hydrochloride
2-Chloro-N,N-diisopropylethylamine hydrochloride
N,N-Diisopropyl-2-Chloroethylamine hydrochloride
1-Chloro-2-diisopropylaminoethane hydrochloride
Identifiers:
SMILES:
CC(C)N(CCCl)C(C)C.Cl
InChI:
InChI=1S/C8H18ClN.ClH/c1-7(2)10(6-5-9)8(3)4;/h7-8H,5-6H2,1-4H3;1H
Key Properties
Melting Point
110 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.15 g/mol | CAS Common Chemistry |
| 200.15300000000002 g/mol | RDKit | |
| 199.08945496799998 g/mol | RDKit | |
| Canonical SMILES | Cl.ClCCN(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18ClN.ClH/c1-7(2)10(6-5-9)8(3)4;/h7-8H,5-6H2,1-4H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=IUSXYVRFJVAVOB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C | CAS Common Chemistry |
| Name | 2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.765800000000002 | RDKit |
| Molar Refractivity | 54.94600000000005 | RDKit |
