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77145-39-2 molecular structure
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1-(pyridin-2-yl)piperidin-4-amine hydrochloride

ChemBase ID: 297745
Molecular Formular: C10H16ClN3
Molecular Mass: 213.70714
Monoisotopic Mass: 213.10327521
SMILES and InChIs

SMILES:
c1ccnc(c1)N1CCC(CC1)N.Cl
Canonical SMILES:
NC1CCN(CC1)c1ccccn1.Cl
InChI:
InChI=1S/C10H15N3.ClH/c11-9-4-7-13(8-5-9)10-3-1-2-6-12-10;/h1-3,6,9H,4-5,7-8,11H2;1H
InChIKey:
HNICPQFPDAEZKW-UHFFFAOYSA-N

Cite this record

CBID:297745 http://www.chembase.cn/molecule-297745.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyridin-2-yl)piperidin-4-amine hydrochloride
IUPAC Traditional name
1-(pyridin-2-yl)piperidin-4-amine hydrochloride
Synonyms
1-(2-Pyridyl)-4-piperidinamine hydrochloride
4-Amino-1-(2-pyridyl)piperidine hydrochloride
4-氨基-1-(2-吡啶基)哌啶盐酸盐
CAS Number
77145-39-2
MDL Number
MFCD09607833
PubChem SID
180683276
PubChem CID
45786931

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 45786931 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2343316  LogD (pH = 7.4) -1.8603023 
Log P 0.6692526  Molar Refractivity 54.025 cm3
Polarizability 20.579117 Å3 Polar Surface Area 42.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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