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440102-39-6 molecular structure
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1-(pyrazin-2-yl)piperidin-4-amine

ChemBase ID: 309557
Molecular Formular: C9H14N4
Molecular Mass: 178.23426
Monoisotopic Mass: 178.12184647
SMILES and InChIs

SMILES:
N1(c2nccnc2)CCC(CC1)N
Canonical SMILES:
NC1CCN(CC1)c1nccnc1
InChI:
InChI=1S/C9H14N4/c10-8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6,10H2
InChIKey:
YKIUKRCSLWXOOK-UHFFFAOYSA-N

Cite this record

CBID:309557 http://www.chembase.cn/molecule-309557.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyrazin-2-yl)piperidin-4-amine
IUPAC Traditional name
1-(pyrazin-2-yl)piperidin-4-amine
Synonyms
1-(2-pyrazinyl)-4-piperidinamine
CAS Number
440102-39-6
MDL Number
MFCD09050965

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4042731 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.5679982  LogD (pH = 7.4) -3.0336688 
Log P -0.54841983  Molar Refractivity 51.8681 cm3
Polarizability 19.678484 Å3 Polar Surface Area 55.04 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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