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Molecule
1,1-Dimethylethyl N-(5-Hydroxypentyl)Carbamate
CAS: 75178-90-4 · C10H21NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75178-90-4
- Molecular Formula
- C10H21NO3
- Molecular Mass
- 203.28 g/mol
Identifiers
CAS Registry Number
75178-90-4
SMILES
CC(C)(C)OC(O)=NCCCCCO
InChI Key
DDGNGFVNTZJMMZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13)
Names and Synonyms
- 1,1-Dimethylethyl N-(5-Hydroxypentyl)Carbamate Systematic Name
- Carbamic acid, N-(5-hydroxypentyl)-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, (5-hydroxypentyl)-, 1,1-dimethylethyl ester Synonym
- 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate Synonym
- 5-(N-tert-Butoxycarbonyl)amino-1-pentanol Synonym
- 5-(tert-Butoxycarbonyl)amino-1-pentanol Synonym
- tert-Butyl (5-hydroxypentyl)carbamate Synonym
- N-(tert-Butoxycarbonyl)-5-aminopentanol Synonym
- 5-[[(t-Butyloxy)carbonyl]amino]pentanol Synonym
- 1,1-Dimethylethyl (5-hydroxypentyl)carbamate Synonym
- 5-(Boc-amino)pentan-1-ol Synonym
- (5-Hydroxypentyl)carbamic acid tert-butyl ester Synonym
- 1-(tert-Butoxycarbonylamino)-5-pentanol Synonym
- tert-Butyl N-(5-hydroxypentyl)carbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.28 g/mol | CAS Common Chemistry |
| 203.28199999999993 g/mol | RDKit | |
| 203.282 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCCCCCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=DDGNGFVNTZJMMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate | 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 | 62.05 Ų | RDKit |
| LogP | 1.8781000000000003 | RDKit |
| 1.8781 | RDKit | |
| Molar Refractivity | 56.70560000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 203.152143532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 203.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H21NO3.
