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85275-45-2 molecular structure
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tert-butyl 3-hydroxypiperidine-1-carboxylate

ChemBase ID: 38377
Molecular Formular: C10H19NO3
Molecular Mass: 201.26276
Monoisotopic Mass: 201.13649347
SMILES and InChIs

SMILES:
C1CN(CC(C1)O)C(=O)OC(C)(C)C
Canonical SMILES:
OC1CCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3
InChIKey:
UIJXHKXIOCDSEB-UHFFFAOYSA-N

Cite this record

CBID:38377 http://www.chembase.cn/molecule-38377.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-hydroxypiperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-hydroxypiperidine-1-carboxylate
Synonyms
tert-butyl 3-hydroxypiperidine-1-carboxylate
1-Boc-3-piperidinol
tert-Butyl 3-hydroxy-1-piperidinecarboxylate
1-Boc-3-hydroxypiperidine
1-Boc-3-hydroxypiperidine
1-(tert-Butoxycarbonyl)-3-hydroxypiperidine
3-Hydroxypiperidine, N-BOC protected
3-羟基-1-哌啶甲酸叔丁酯
N-Boc-3-哌啶醇
1-BOC-3-羟基哌啶
CAS Number
85275-45-2
EC Number
000-000-0
MDL Number
MFCD02093938
Beilstein Number
4180859
PubChem SID
24890035
161001684
PubChem CID
545699

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.863168  H Acceptors
H Donor LogD (pH = 5.5) 0.86577713 
LogD (pH = 7.4) 0.8657771  Log P 0.86577713 
Molar Refractivity 53.192 cm3 Polarizability 20.97339 Å3
Polar Surface Area 49.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
66-70°C expand Show data source
Hydrophobicity(logP)
1.607 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (TLC) expand Show data source
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C10H19NO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 94647 external link
Packaging
1 g in poly tube
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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