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N-Boc-Ethylenediamine
CAS: 57260-73-8 | C7H16N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
57260-73-8
Molecular Formula:
C7H16N2O2
Molecular Mass:
160.22 g/mol
Names and Synonyms:
N-Boc-Ethylenediamine
Carbamic acid, N-(2-aminoethyl)-, 1,1-dimethylethyl ester
Carbamic acid, (2-aminoethyl)-, 1,1-dimethylethyl ester
N-(tert-Butoxycarbonyl)ethylenediamine
tert-Butyl (2-aminoethyl)carbamate
N-(tert-Butoxycarbonyl)-1,2-ethanediamine
1,1-Dimethylethyl (2-aminoethyl)carbamate
tert-Butyl [(2-aminoethyl)amino]formate
N-(t-Butyloxycarbonyl)ethylenediamine
N-(tert-Butoxycarbonyl)-1,2-diaminoethane
2-[(tert-Butoxycarbonyl)amino]ethylamine
1-[(tert-Butoxycarbonyl)amino]-2-aminoethane
mono-BOC-ethylenediamine
N-(2-Aminoethyl)carbamic acid tert-butyl ester
N-BOC-ethylenediamine
N-(2-Aminoethyl)carbamic acid 1,1-dimethylethyl ester
2-(N-tert-Butoxycarbonylamino)ethylamine
(2-Aminoethyl)carbamic acid 1,1-dimethylethyl ester
(2-Aminoethyl)carbamic acid tert-butyl ester
N-Boc-1,2-diaminoethane
N-Boc-ethane-1,2-diamine
2-[[(tert-Butyloxy)carbonyl]amino]ethylamine
2-(tert-Butoxycarbonyl)amino-1-aminoethane
N-tert-Butoxycarbonyl-1,2-ethylenediamine
tert-Butyl N-(2-aminoethyl)carbamate
[(tert-Butyloxy)carbonyl]-1,2-ethylenediamine
N-Boc-1,2-ethylendiamine
Identifiers:
SMILES:
CC(C)(C)OC(O)=NCCN
InChI:
InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)
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 | 160.22 g/mol | CAS Common Chemistry |
| 160.21699999999996 g/mol | RDKit | |
| 160.121177752 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCCN | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=AOCSUUGBCMTKJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-BOC-ethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 0.6742000000000001 | RDKit |
| Molar Refractivity | 44.82320000000001 | RDKit |
