Back to Search
N-Boc-1,6-Diaminohexane
CAS: 51857-17-1 | C11H24N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51857-17-1
Molecular Formula:
C11H24N2O2
Molecular Mass:
216.33 g/mol
Names and Synonyms:
N-Boc-1,6-Diaminohexane
Carbamic acid, N-(6-aminohexyl)-, 1,1-dimethylethyl ester
Carbamic acid, (6-aminohexyl)-, 1,1-dimethylethyl ester
6-[(tert-Butyloxycarbonyl)amino]hexylamine
N-(tert-Butoxycarbonyl)hexamethylenediamine
N-(tert-Butoxycarbonyl)-1,6-hexanediamine
N-BOC-1,6-diaminohexane
1-((tert-Butoxycarbonyl)amino)-6-aminohexane
(6-Aminohexyl)carbamic acid tert-butyl ester
6-Aminohexylcarbamic acid tert-butyl ester
tert-Butyl N-(6-aminohexyl)carbamate
tert-Butyl (6-aminohexyl)carbamate
6-(tert-Butoxycarbonylamino)-1-hexanamine
6-((tert-Butoxycarbonyl)amino)-1-hexylamine
N-(tert-Butoxycarbonyl)-1,6-diaminohexane
6-(tert-Butoxycarbonylamino)hexylamine
N-BOC-1,6-diaminohexane
Mono-BOC-hexamethylenediamine
tert-Butyloxycarbonyl-1,6-hexamethylenediamine
Boc-1,6-hexanediamine
N-Boc-1,6-hexanediamine
6-(tert-Butoxycarbonyl)amino-1-aminohexane
Identifiers:
SMILES:
CC(C)(C)OC(O)=NCCCCCCN
InChI:
InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)
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 | 216.33 g/mol | CAS Common Chemistry |
| 216.3249999999999 g/mol | RDKit | |
| 216.183778008 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=RVZPDKXEHIRFPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-BOC-1,6-diaminohexane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 2.2346000000000004 | RDKit |
| Molar Refractivity | 63.29120000000004 | RDKit |
