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4318-78-9 molecular structure
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pyridine-3,5-diamine

ChemBase ID: 294361
Molecular Formular: C5H7N3
Molecular Mass: 109.12918
Monoisotopic Mass: 109.06399724
SMILES and InChIs

SMILES:
Nc1cc(N)cnc1
Canonical SMILES:
Nc1cncc(c1)N
InChI:
InChI=1S/C5H7N3/c6-4-1-5(7)3-8-2-4/h1-3H,6-7H2
InChIKey:
ABYXFACYSGVHCW-UHFFFAOYSA-N

Cite this record

CBID:294361 http://www.chembase.cn/molecule-294361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-3,5-diamine
IUPAC Traditional name
pyridine, 3,5-diamino-
Synonyms
Pyridine-3,5-diamine
3,5-DIAMINOPYRIDINE
CAS Number
4318-78-9
MDL Number
MFCD00955693
PubChem SID
180679892
PubChem CID
78014

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78014 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5983951  LogD (pH = 7.4) -0.94015676 
Log P -0.90227854  Molar Refractivity 33.3019 cm3
Polarizability 11.709824 Å3 Polar Surface Area 64.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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