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L-Leucinol
CAS: 7533-40-6 | C6H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7533-40-6
Molecular Formula:
C6H15NO
Molecular Mass:
117.19 g/mol
Names and Synonyms:
L-Leucinol
1-Pentanol, 2-amino-4-methyl-, (2S)-
1-Pentanol, 2-amino-4-methyl-, (S)-
1-Pentanol, 2-amino-4-methyl-, L-
(2S)-2-Amino-4-methyl-1-pentanol
L-Leucinol
(2S)-1-Hydroxy-4-methylpentan-2-amine
L-(+)-Leucinol
(S)-2-Amino-4-methylpentanol
(S)-2-Amino-4-methyl-1-pentanol
(S)-Leucinol
(+)-Leucinol
(S)-(+)-2-Amino-4-methyl-1-pentanol
(1S)-1-(Hydroxymethyl)-3-methylbutylamine
(S)-(+)-Leucinol
((S)-1-(Hydroxymethyl)-3-methylbutyl)amine
(2S)-2-Amino-4-methylpentan-1-ol
(2S)-1-Hydroxy-4-methylpentan-2-amine
Identifiers:
SMILES:
CC(C)C[C@H](N)CO
InChI:
InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
Key Properties
Boiling Point
100-105 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
56-58 °C
CAS Common Chemistry
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 | 117.19 g/mol | CAS Common Chemistry |
| 117.192 g/mol | RDKit | |
| 117.1153641 g/mol | RDKit | |
| Boiling Point | 100-105 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC(N)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VPSSPAXIFBTOHY-LURJTMIESA-N | CAS Common Chemistry |
| Melting Point | 56-58 °C | CAS Common Chemistry |
| Name | L-Leucinol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.35210000000000025 | RDKit |
| Molar Refractivity | 34.5162 | RDKit |
