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N-(Tert-Butoxycarbonyl)-1,5-Diaminopentane
CAS: 51644-96-3 | C10H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51644-96-3
Molecular Formula:
C10H22N2O2
Molecular Mass:
202.30 g/mol
Names and Synonyms:
N-(Tert-Butoxycarbonyl)-1,5-Diaminopentane
Carbamic acid, N-(5-aminopentyl)-, 1,1-dimethylethyl ester
Carbamic acid, (5-aminopentyl)-, 1,1-dimethylethyl ester
5-(N-tert-Butoxycarbonyl)amino-1-aminopentane
N-(tert-Butoxycarbonyl)-1,5-pentanediamine
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
5-[(tert-Butoxycarbonyl)amino]-1-pentylamine
5-(tert-Butoxycarbonylamino)pentanamine
tert-Butyl 5-aminopentylcarbamate
5-(tert-Butoxycarbonylamino)-1-aminopentane
5-Aminopentylcarbamic acid tert-butyl ester
N-Boc-cadaverine
1,1-Dimethylethyl N-(5-aminopentyl)carbamate
Mono-N-[(tert-Butoxy)carbonyl]cadaverine
N-Boc-1,5-diaminopentane
Mono-N-Boc-1,5-pentanediamine
N-Boc-1,5-pentanediamine
N-Boc-1,5-pentylenediamine
Identifiers:
SMILES:
CC(C)(C)OC(O)=NCCCCCN
InChI:
InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
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 |
| 202.29799999999992 g/mol | RDKit | |
| 202.168127944 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=DPLOGSUBQDREOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(tert-Butoxycarbonyl)-1,5-diaminopentane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 1.8445 | RDKit |
| Molar Refractivity | 58.674200000000035 | RDKit |
