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45957-41-3 molecular structure
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1-(pyridin-4-ylmethyl)guanidine

ChemBase ID: 307460
Molecular Formular: C7H10N4
Molecular Mass: 150.1811
Monoisotopic Mass: 150.09054634
SMILES and InChIs

SMILES:
C(=N)(NCc1ccncc1)N
Canonical SMILES:
NC(=N)NCc1ccncc1
InChI:
InChI=1S/C7H10N4/c8-7(9)11-5-6-1-3-10-4-2-6/h1-4H,5H2,(H4,8,9,11)
InChIKey:
GBLIODJTYTUZIW-UHFFFAOYSA-N

Cite this record

CBID:307460 http://www.chembase.cn/molecule-307460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyridin-4-ylmethyl)guanidine
IUPAC Traditional name
1-(pyridin-4-ylmethyl)guanidine
Synonyms
N-(pyridin-4-ylmethyl)guanidine
CAS Number
45957-41-3
MDL Number
MFCD08060001

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8699389  LogD (pH = 7.4) -2.8662043 
Log P -0.45242894  Molar Refractivity 53.0891 cm3
Polarizability 16.107407 Å3 Polar Surface Area 74.79 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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