N-Octylglucamine

C₁₄H₃₁NO₅CAS 23323-37-7293.40 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₄H₃₁NO₅
Molar mass: 293.40 g/mol
Exact mass: 293.2202 Da
Melting point: 121–123 °C
logP: -0.63Crippen estimate
Polar surface area: 113.2 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 13
Stereocentres: S, R, R, Rin SMILES atom order

Identifiers

CAS number

23323-37-7

SMILES

CCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChIKey

ZRRNJJURLBXWLL-REWJHTLYSA-N

InChI

InChI=1S/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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

D-Glucitol, 1-deoxy-1-(octylamino)-
Glucitol, 1-deoxy-1-(octylamino)-, D-
1-Deoxy-1-(octylamino)-D-glucitol
1-(Octylamino)-1-deoxy-D-glucitol
N-Octyl-1-amino-1-deoxy-D-glucitol

Work with N-Octylglucamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Ethylglucamine14216-22-960 % similar Meglumine6284-40-850 % similar N-Octanoyl-N-methylglucamine85316-98-946 % similar Phytosphingosine554-62-145 % similar Sorbitol50-70-445 % similar Galactitol608-66-245 % similar Mannitol69-65-845 % similar Dl-mannitol87-78-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook