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| CAS No.: | 23323-37-7 |
|---|---|
| Name: | N-Octyl-D-glucamine |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H31NO5 |
| Molecular Weight: | 293.404 |
| Synonyms: | Glucitol,1-deoxy-1-(octylamino)-, D- (8CI);1-(Octylamino)-1-deoxy-D-glucitol;N-Octylglucamine; |
| EINECS: | 245-582-9 |
| Density: | 1.139 g/cm3 |
| Melting Point: | 121-124 °C |
| Boiling Point: | 524.7 °C at 760 mmHg |
| Flash Point: | 164.7 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 113.18000 |
| LogP: | -0.23670 |
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Chemistry
Molecular Structure of D-Glucitol,1-deoxy-1-(octylamino)- (CAS NO.23323-37-7):
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IUPAC Name: (2R,3R,4R,5S)-6-(octylamino)hexane-1,2,3,4,5-pentol
Empirical Formula: C14H31NO5
Molecular Weight: 293.3996
H bond acceptors: 6
H bond donors: 6
Freely Rotating Bonds: 18
Polar Surface Area: 49.39 Å2
Index of Refraction: 1.517
Molar Refractivity: 78.01 cm3
Molar Volume: 257.4 cm3
Surface Tension: 51.6 dyne/cm
Density: 1.139 g/cm3
Flash Point: 164.7 °C
Enthalpy of Vaporization: 91.89 kJ/mol
Boiling Point: 524.7 °C at 760 mmHg
Vapour Pressure: 3.34E-13 mmHg at 25°C
EINECS: 245-582-9
Melting point: 121-124 ºC
alpha: -15 º (c=1, MeOH)
Product Categories: chiral; Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis
InChI
InChI=1/C14H31NO5/c1-2-3-4-5-6-7-8-15-9-11(17)13(19)14(20)12(18)10-16/h11-20H,2-10H2,1H3/t11-,12+,13+,14+/m0/s1
Smiles
OC[C@H]([C@@H](O)[C@@H]([C@H](CNCCCCCCCC)O)O)O
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Specification
D-Glucitol,1-deoxy-1-(octylamino)- , with CAS number of 23323-37-7, can be called (2R,3R,4R,5S)-6-(Octylamino)-1,2,3,4,5-hexanepentol ; 1-Deoxy-1-(octylamino)-D-glucitol . It is a white to light yellow crystal powde.
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