N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)hexanediamide

C₁₄H₂₈N₂O₆CAS 6334-25-4320.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₈N₂O₆
Molar mass: 320.39 g/mol
Exact mass: 320.1947 Da
logP: -1.83Crippen estimate
Polar surface area: 121.5 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 13

Hazards

Warning

H315 Causes skin irritation52.4% of notifiers
H319 Causes serious eye irritation52.4% of notifiers
H335 May cause respiratory irritation52.4% of notifiers

Aggregated from 338 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6334-25-4

SMILES

O=C(CCCCC(=O)N(CCO)CCO)N(CCO)CCO

InChIKey

OKRNLSUTBJUVKA-UHFFFAOYSA-N

InChI

InChI=1S/C14H28N2O6/c17-9-5-15(6-10-18)13(21)3-1-2-4-14(22)16(7-11-19)8-12-20/h17-20H,1-12H2

Weigh it out

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Names and synonyms

17 names · show all

Hexanediamide, N1,N1,N6,N6-tetrakis(2-hydroxyethyl)-
Hexanediamide, N,N,N′,N′-tetrakis(2-hydroxyethyl)-
N,N,N′,N′-Tetrakis(2-hydroxyethyl)adipamide
Primid XL 552
SA 552
Bis[N,N-di(β-hydroxyethyl)] adipamide
NSC 27129
XL 552
N,N,N′,N′-Tetra(2-hydroxyethyl)hexane-1,6-diamide
Vestagon HA 320
N,N,N′,N′-Tetrakis(2-hydroxyethyl)hexanediamide
T 105 (Amide)
T 105
N,N,N′,N′-Tetrakis(β-hydroxyethyl)adipamide
P 552
AHA 6552
N,N,N',N'-Tetrakis(2-hydroxyethyl)adipamide

Work with N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)hexanediamide

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

1-(2-Hydroxyethyl)-2-pyrrolidinone3445-11-287 % similar Lauric acid diethanolamide120-40-175 % similar 1-(3-Hydroxypropyl)pyrrolidin-2-one62012-15-172 % similar N-(Hydroxymethyl)-2-pyrrolidone15438-71-856 % similar 4-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric acid717904-43-355 % similar N-[2-Hydroxyethyl]succinimide18190-44-854 % similar Laurocapram59227-89-350 % similar N-Butyl-2-pyrrolidone3470-98-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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