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216854-23-8 molecular structure
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tert-butyl (3S)-3-aminopiperidine-1-carboxylate

ChemBase ID: 89090
Molecular Formular: C10H20N2O2
Molecular Mass: 200.278
Monoisotopic Mass: 200.15247789
SMILES and InChIs

SMILES:
N1(C(=O)OC(C)(C)C)CCC[C@@H](C1)N
Canonical SMILES:
N[C@H]1CCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKey:
AKQXKEBCONUWCL-QMMMGPOBSA-N

Cite this record

CBID:89090 http://www.chembase.cn/molecule-89090.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
IUPAC Traditional name
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
Synonyms
(S)-1-Boc-3-Aminopiperidine
(S)-3-Amino-1-N-Boc-piperidine
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
tert-Butyl (3S)-3-aminopiperidine-1-carboxylate
(3S)-3-Amino-1-(tert-butoxycarbonyl)piperidine
(3S)-3-Aminopiperidine, N1-BOC protected
(S)-1-Boc-3-piperidinamine
tert-Butyl (S)-3-amino-1-piperidinecarboxylate
(S)-(+)-3-Amino-1-Boc-piperidine
(S)-Boc-3-piperidinamine
tert-Butyl (R)-3-aminopiperidine-1-carboxylate
(S)-1-Boc-3-氨基哌啶
(S)-1-叔丁氧羰基-3-氨基哌啶
(S)-(+)-3-氨基-1-叔丁氧羰基哌啶
(S)-(+)-1-Boc-3-氨基哌啶
CAS Number
216854-23-8
625471-18-3
MDL Number
MFCD03094718
PubChem SID
162075976
24851903
PubChem CID
1501975

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2202446  LogD (pH = 7.4) -1.2168616 
Log P 0.75889534  Molar Refractivity 54.8495 cm3
Polarizability 21.854008 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>110°C expand Show data source
Density
1.02 expand Show data source
Optical Rotation
[α]/D +29.5±3°, c = 1 in DMF expand Show data source
Hydrophobicity(logP)
1.684 expand Show data source
Storage Warning
Air Sensitive expand Show data source
Harmful/Irritant/Air Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
22-36/37/38 expand Show data source
34 expand Show data source
Safety Statements
26 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P261-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
Purity
≥98.0% (TLC) expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H20N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 19929 external link
Packaging
1 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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