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93319-65-4 molecular structure
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pyridazin-3-ylmethanamine

ChemBase ID: 63081
Molecular Formular: C5H7N3
Molecular Mass: 109.12918
Monoisotopic Mass: 109.06399724
SMILES and InChIs

SMILES:
n1ncccc1CN
Canonical SMILES:
NCc1cccnn1
InChI:
InChI=1S/C5H7N3/c6-4-5-2-1-3-7-8-5/h1-3H,4,6H2
InChIKey:
BCPGZEVUJXKIHK-UHFFFAOYSA-N

Cite this record

CBID:63081 http://www.chembase.cn/molecule-63081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridazin-3-ylmethanamine
(pyridazin-3-yl)methanamine
IUPAC Traditional name
pyridazin-3-ylmethanamine
Synonyms
3-Aminomethylpyridazine
Pyridazin-3-ylmethanamine
(Pyridazin-3-yl)methylamine
3-(Aminomethyl)pyridazine
CAS Number
93319-65-4
MDL Number
MFCD05664656
PubChem SID
162028820
PubChem CID
22639518

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6186414  LogD (pH = 7.4) -1.9665598 
Log P -1.0169562  Molar Refractivity 31.7156 cm3
Polarizability 11.905429 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant/Moisture Sensitive/Store under Argon/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
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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