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Molecule
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
Identifiers
CAS Registry Number
57260-73-8
SMILES
CC(C)(C)OC(O)=NCCN
InChI Key
AOCSUUGBCMTKJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)
Names and Synonyms
- N-Boc-Ethylenediamine Synonym
- Carbamic acid, N-(2-aminoethyl)-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, (2-aminoethyl)-, 1,1-dimethylethyl ester Synonym
- N-(tert-Butoxycarbonyl)ethylenediamine Synonym
- tert-Butyl (2-aminoethyl)carbamate Synonym
- N-(tert-Butoxycarbonyl)-1,2-ethanediamine Synonym
- 1,1-Dimethylethyl (2-aminoethyl)carbamate Synonym
- tert-Butyl [(2-aminoethyl)amino]formate Synonym
- N-(t-Butyloxycarbonyl)ethylenediamine Synonym
- N-(tert-Butoxycarbonyl)-1,2-diaminoethane Synonym
- 2-[(tert-Butoxycarbonyl)amino]ethylamine Synonym
- 1-[(tert-Butoxycarbonyl)amino]-2-aminoethane Synonym
- mono-BOC-ethylenediamine Synonym
- N-(2-Aminoethyl)carbamic acid tert-butyl ester Synonym
- N-BOC-ethylenediamine Synonym
- N-(2-Aminoethyl)carbamic acid 1,1-dimethylethyl ester Synonym
- 2-(N-tert-Butoxycarbonylamino)ethylamine Synonym
- (2-Aminoethyl)carbamic acid 1,1-dimethylethyl ester Synonym
- (2-Aminoethyl)carbamic acid tert-butyl ester Synonym
- N-Boc-1,2-diaminoethane Synonym
- N-Boc-ethane-1,2-diamine Synonym
- 2-[[(tert-Butyloxy)carbonyl]amino]ethylamine Synonym
- 2-(tert-Butoxycarbonyl)amino-1-aminoethane Synonym
- N-tert-Butoxycarbonyl-1,2-ethylenediamine Synonym
- tert-Butyl N-(2-aminoethyl)carbamate Synonym
- [(tert-Butyloxy)carbonyl]-1,2-ethylenediamine Synonym
- N-Boc-1,2-ethylendiamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.22 g/mol | CAS Common Chemistry |
| 160.21699999999996 g/mol | RDKit | |
| 160.217 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 |
| 0.6742 | RDKit | |
| Molar Refractivity | 44.82320000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 160.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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20
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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 = 160.22 g/mol. Edit any field — others recompute live.
