(1-Butanamine)[[2,2′-(thio-κS)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-κO]](2-)]nickel

C₃₂H₅₁NNiO₂SCAS 14516-71-3572.52 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₃₂H₅₁NNiO₂S
Molar mass: 572.52 g/mol
Exact mass: 571.2994 Da
logP: 8.16Crippen estimate
Polar surface area: 72.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed40.4% of notifiers
H312 Harmful in contact with skin40.4% of notifiers
H317 May cause an allergic skin reaction21.2% of notifiers
H332 Harmful if inhaled40.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects17.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life16.3% of notifiers

Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

14516-71-3

SMILES

CC(C)(C)CC(C)(C)c1ccc([O-])c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2[O-])c1.CCCCN.[Ni+2]

InChIKey

DPLLDVMBMPQDCO-UHFFFAOYSA-L

InChI

InChI=1S/C28H42O2S.C4H11N.Ni/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6;1-2-3-4-5;/h11-16,29-30H,17-18H2,1-10H3;2-5H2,1H3;/q;;+2/p-2

Weigh it out

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

Names and synonyms

20 names · show all

Nickel, (1-butanamine)[[2,2′-(thio-κS)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-κO]](2-)]-
Nickel, (butylamine)[[2,2′-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)]-
Nickel, (1-butanamine)[[2,2′-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O′,S]-
Nickel, [2,2′-thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]ato(2-)](butylamine)-
1-Butanamine, nickel complex
Phenol, 2,2′-thiobis[4-(1,1,3,3-tetramethylbutyl)-, nickel complex
2,2′-Thiobis(4-tert-octylphenoxy)(n-butylamine)nickel
[2,2′-Thiobis(4-tert-octylphenolato)](butylamine)nickel
2,2′-Thiobis(4-tert-octylphenolato)-n-butylamine nickel(II)
(Butylamine)[2,2′-thiobis(4-tert-octylphenolato)(2-)]nickel
[2,2′-Thiobis(4-tert-octylphenolato)]-n-butylamine nickel
(Butylamine)[2,2′-thiobis(4-tert-octylphenolato)]nickel(II)
Butylamine-nickel-2,2′-thiobis(p-tert-octylphenol) complex
Cyasorb UV 1084
Butylamine[2,2′-thiobis(4-tert-octylphenolato)]nickel
[2,2′-Thiobis(4-tert-octylphenylato)]-n-butylamine nickel
Ni 1
UV 1084
Chimassorb N 705
Ni 1 (complex)

Work with (1-Butanamine)[[2,2′-(thio-κS)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-κO]](2-)]nickel

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,2′-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]3294-03-9Free acid n-Butylamine109-73-9Free base Butylamine hydrochloride3858-78-4Salt

Similar compounds

4-tert-Octylphenol140-66-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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