2,2,6,6-Tetramethyl-4-piperidyl benzoate

HCID 579967
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
26275-88-7
Standard SMILES
CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1
InChIKey
YEYCMBWKTZNPDH-UHFFFAOYSA-N
Molecular formula
C16H23NO2
Average molar mass
261.36 g/mol
Monoisotopic mass
261.17287898

Names & identifiers

Preferred name
2,2,6,6-Tetramethyl-4-piperidyl benzoate
IUPAC
(2,2,6,6-tetramethylpiperidin-4-yl) benzoate
English name
4-(Benzoyloxy)-2,2,6,6-tetramethylpiperidine
Molecular formula
C16H23NO2
Molecular weight
261.36

Names & synonyms

26275-88-72,2,6,6-tetramethyl-4-piperidyl benzoateDTXSID70342227RefChem:242968DTXCID302933072,2,6,6-tetramethylpiperidin-4-yl benzoateMFCD004297664-Piperidinol, 2,2,6,6-tetramethyl-, 4-benzoate(2,2,6,6-tetramethylpiperidin-4-yl) benzoateBenzoic acid 2,2,6,6-tetramethyl-piperidin-4-yl esterMLS0005188424-benzoyloxy-2,2,6,6-tetramethylpiperidine
Show more names
4-(Benzoyloxy)-2,2,6,6-tetramethylpiperidine
ChemDiv2_000227Oprea1_477012Oprea1_498269SCHEMBL97715Benzoic acid 2,2,6,6-tetramethyl-4-piperidinyl esterSCHEMBL9671152CHEMBL1582072HMS1369K07

Database identifiers

CAS
26275-88-7
PubChem CID
579967
DTXSID
DTXSID70342227
ChEMBL
CHEMBL1582072
Nikkaji
J39.109C

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
19

Physicochemical properties

Boiling point
337.6 · 337.6±35.0 °C(Predicted)
Density
1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
10.29 · 10.29±0.10(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers7 total

上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

Loading…