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Molecule
N-Boc-1,6-Diaminohexane
CAS: 51857-17-1 · C11H24N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51857-17-1
- Molecular Formula
- C11H24N2O2
- Molecular Mass
- 216.33 g/mol
Identifiers
CAS Registry Number
51857-17-1
SMILES
CC(C)(C)OC(O)=NCCCCCCN
InChI Key
RVZPDKXEHIRFPM-UHFFFAOYSA-N
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)
Names and Synonyms
- N-Boc-1,6-Diaminohexane Systematic Name
- Carbamic acid, N-(6-aminohexyl)-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, (6-aminohexyl)-, 1,1-dimethylethyl ester Synonym
- 6-[(tert-Butyloxycarbonyl)amino]hexylamine Synonym
- N-(tert-Butoxycarbonyl)hexamethylenediamine Synonym
- N-(tert-Butoxycarbonyl)-1,6-hexanediamine Synonym
- N-BOC-1,6-diaminohexane Synonym
- 1-((tert-Butoxycarbonyl)amino)-6-aminohexane Synonym
- (6-Aminohexyl)carbamic acid tert-butyl ester Synonym
- 6-Aminohexylcarbamic acid tert-butyl ester Synonym
- tert-Butyl N-(6-aminohexyl)carbamate Synonym
- tert-Butyl (6-aminohexyl)carbamate Synonym
- 6-(tert-Butoxycarbonylamino)-1-hexanamine Synonym
- 6-((tert-Butoxycarbonyl)amino)-1-hexylamine Synonym
- N-(tert-Butoxycarbonyl)-1,6-diaminohexane Synonym
- 6-(tert-Butoxycarbonylamino)hexylamine Synonym
- N-BOC-1,6-diaminohexane Synonym
- Mono-BOC-hexamethylenediamine Synonym
- tert-Butyloxycarbonyl-1,6-hexamethylenediamine Synonym
- Boc-1,6-hexanediamine Synonym
- N-Boc-1,6-hexanediamine Synonym
- 6-(tert-Butoxycarbonyl)amino-1-aminohexane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.33 g/mol | CAS Common Chemistry |
| 216.3249999999999 g/mol | RDKit | |
| 216.325 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 |
| 2.2346 | RDKit | |
| Molar Refractivity | 63.29120000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 216.183778008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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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 = 216.33 g/mol. Edit any field — others recompute live.
