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3430-19-1 molecular structure
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5-methylpyridin-3-amine

ChemBase ID: 18448
Molecular Formular: C6H8N2
Molecular Mass: 108.14112
Monoisotopic Mass: 108.06874827
SMILES and InChIs

SMILES:
c1(cncc(c1)N)C
Canonical SMILES:
Cc1cncc(c1)N
InChI:
InChI=1S/C6H8N2/c1-5-2-6(7)4-8-3-5/h2-4H,7H2,1H3
InChIKey:
JXUWZXFVCBODAN-UHFFFAOYSA-N

Cite this record

CBID:18448 http://www.chembase.cn/molecule-18448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methylpyridin-3-amine
IUPAC Traditional name
5-methylpyridin-3-amine
Synonyms
3-Amino-5-methylpyridine
3-Amino-5-picoline
5-methylpyridin-3-amine
3-Amino-5-methylpyridine
3-氨基-5-甲基吡啶
CAS Number
3430-19-1
MDL Number
MFCD04112508
PubChem SID
160981755
PubChem CID
2762894

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.19258697  LogD (pH = 7.4) 0.41218418 
Log P 0.4400688  Molar Refractivity 33.6427 cm3
Polarizability 12.334603 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
59 - 63°C expand Show data source
59-63 °C expand Show data source
59-63°C expand Show data source
Hydrophobicity(logP)
0.817 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT-HARMFUL expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H8N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 684856 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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