Basic information
- Name:
D-Glucitol,1-deoxy-1-(octylamino)-
- Superlist Name:
- N-Octyl-D-glucamine
- CAS No.:
23323-37-7
- Molecular Structure:
- Formula:
- C14H31NO5
- Molecular Weight:
- 293.40
- 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 Description:
- 26-37/39 Details
- particular:
- particular
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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.