4-Isothiocyanato-2,2,6,6-tetramethylpiperidinooxyl

HCID 147645
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Basic information

CAS
36410-81-8
Standard SMILES
CC1(C)CC(N=C=S)CC(C)(C)N1[O]
InChIKey
BKENZAFIBRCMKD-UHFFFAOYSA-N
Molecular formula
C10H17N2OS
Average molar mass
213.32 g/mol
Monoisotopic mass
213.10615916

Names & identifiers

Preferred name
4-Isothiocyanato-2,2,6,6-tetramethylpiperidinooxyl
IUPAC
(4-Isothiocyanato-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
English name
4-Isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl
Molecular formula
C10H17N2OS*
Molecular weight
213.32

Names & synonyms

4-Itc-tempo4-Isothiocyanato-2,2,6,6-tetramethylpiperidinooxylDTXSID30189938RefChem:99519DTXCID9011242936410-81-84-Isothiocyanato-2,2,6,6-tetramethyl-1-piperidinyloxyC10H17N2OS4-ISOTHIOCYANATO-2,2,6,6-TETRAMETHYLPIPERIDINE1-OXYLAKOS025295228I04861-Piperidinyloxy, 4-isothiocyanato-2,2,6,6-tetramethyl-
Show more names
4-ISOTHIOCYANATO-TEMPO4-Isothiocyanato-TEMPO Free Radical4-Isothiocyanato-TEMPO,95%,free radical1-Piperidinyloxy,4-isothiocyato-2,2,6,6-tetramethyl-4-Isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl4-ISOTHIOCYANATO-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY)4-isothiocyanato-2,2,6,6-tetramethylpiperidine N-oxide1-Piperidinyloxy,4-isothiocyanato-2,2,6,6-tetramethyl-4-Isothiocyanato-2,2,6,6-tetramethylpiperidine1-OxylFreeRadical>

Database identifiers

CAS
36410-81-8
PubChem CID
147645
DTXSID
DTXSID30189938
Nikkaji
J1.402.933H

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
48.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
124 °C · 124 °C
Density
1.1186 · 1.1186 (rough estimate)
refractive index
1.565 · 1.5650 (estimate)
storage temp.
0 · 0-6°C
form
powder to crystal
color
Light yellow to Brown

Safety & regulation

Safety data

wgk
3
hs_code
2933.39.9200
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Applications

Uses4-Isothiocyanato-2,2,6,6-tetramethylpiperidine 1-Oxyl (cas# 36410-81-8) is a compound useful in organic synthesis.

Suppliers29 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific[email protected]

Related reactions

1 records
New reaction record

Compound notes

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