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75844-69-8 molecular structure
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tert-butyl piperidine-1-carboxylate

ChemBase ID: 17963
Molecular Formular: C10H19NO2
Molecular Mass: 185.26336
Monoisotopic Mass: 185.14157885
SMILES and InChIs

SMILES:
C1CCCN(C1)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CCCCC1)OC(C)(C)C
InChI:
InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-8H2,1-3H3
InChIKey:
RQCNHUCCQJMSRG-UHFFFAOYSA-N

Cite this record

CBID:17963 http://www.chembase.cn/molecule-17963.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl piperidine-1-carboxylate
Synonyms
1-Boc-piperidine
N-Boc-tetrahydropyridine
1-Boc-piperidine
N-(tert-Butoxycarbonyl)piperidine
N-Boc-piperidine
1-(tert-Butoxycarbonyl)piperidine
tert-Butyl piperidine-1-carboxylate
1-Boc-piperidine
1-Boc-哌啶
N-叔丁氧羰基哌啶
N-Boc-哌啶
1-Boc-哌啶
CAS Number
75844-69-8
MDL Number
MFCD02093935
Beilstein Number
3604898
PubChem SID
24884129
160981270
PubChem CID
7010304

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9406807  LogD (pH = 7.4) 1.9406807 
Log P 1.9406807  Molar Refractivity 51.8305 cm3
Polarizability 20.325129 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
130-140°C/15mm expand Show data source
130-140°C/15mm expand Show data source
Flash Point
186.8 °F expand Show data source
86 °C expand Show data source
86°C(187°F) expand Show data source
Density
0.964 g/mL at 25 °C(lit.) expand Show data source
0.965 expand Show data source
Refractive Index
1.4535 expand Show data source
n20/D 1.454(lit.) expand Show data source
Storage Warning
IRRITANT, KEEP COLD expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
25-36/37/38-50 expand Show data source
Safety Statements
26-36-45-60-61 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H227 expand Show data source
H301-H315-H319-H335-H400 expand Show data source
GHS Precautionary statements
P210-P280-P370+P378A-P403+P235-P501A expand Show data source
P261-P273-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C10H19NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 655872 external link
Application
Substrate used in a two-step α-arylation procedure.7
Reactant for synthesis of:
• Piperazine derivatives for orally active acetyl-CoA carboxylase 1/2 non-selective inhibitors1
• 2-Aryl and 2-vinyl piperidines2
• Allosteric IGF-1R inhibitors3Reactant for:
• Allylation and conjugate addition reactions4
• Asymmetric deprotonation5
• Enantioselective inter- and intramolecular aldol reactions6
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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