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1,1-Dimethylethyl N-(4-Aminobutyl)-N-Methylcarbamate
CAS: 144222-23-1 | C10H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
144222-23-1
Molecular Formula:
C10H22N2O2
Molecular Mass:
202.30 g/mol
Names and Synonyms:
1,1-Dimethylethyl N-(4-Aminobutyl)-N-Methylcarbamate
Carbamic acid, N-(4-aminobutyl)-N-methyl-, 1,1-dimethylethyl ester
Carbamic acid, (4-aminobutyl)methyl-, 1,1-dimethylethyl ester
1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate
tert-Butyl N-(4-aminobutyl)-N-(methyl)carbamate
Identifiers:
SMILES:
CN(CCCCN)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8,11H2,1-4H3
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 | 202.30 g/mol | CAS Common Chemistry |
| 202.298 g/mol | RDKit | |
| 202.168127944 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N(C)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8,11H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CIZQQISFIQZTDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N-(4-aminobutyl)-N-methylcarbamate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.56 Ų | RDKit |
| LogP | 1.5921999999999996 | RDKit |
| Molar Refractivity | 57.152400000000036 | RDKit |
