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329-89-5 molecular structure
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6-aminopyridine-3-carboxamide

ChemBase ID: 90643
Molecular Formular: C6H7N3O
Molecular Mass: 137.13928
Monoisotopic Mass: 137.05891186
SMILES and InChIs

SMILES:
n1cc(ccc1N)C(=O)N
Canonical SMILES:
Nc1ccc(cn1)C(=O)N
InChI:
InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
InChIKey:
ZLWYEPMDOUQDBW-UHFFFAOYSA-N

Cite this record

CBID:90643 http://www.chembase.cn/molecule-90643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-aminopyridine-3-carboxamide
IUPAC Traditional name
6-aminonicotinamide
Synonyms
6-Aminopyridine-3-carboxamide
6-Aminonicotinamide 97%
6-Aminonicotinamide
6-AMINONICOTINAMIDE
6-氨基-3-吡啶甲酰胺
6-氨基烟酰胺
CAS Number
329-89-5
EC Number
206-349-7
MDL Number
MFCD00006327
Beilstein Number
116042
PubChem SID
162077422
24846224
24891142
PubChem CID
9500

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.210401  H Acceptors
H Donor LogD (pH = 5.5) -0.8216505 
LogD (pH = 7.4) -0.6313684  Log P -0.6282547 
Molar Refractivity 37.9934 cm3 Polarizability 13.436624 Å3
Polar Surface Area 82.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
245-248 °C(lit.) expand Show data source
245-248°C expand Show data source
246-248 °C expand Show data source
246-248°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Toxic expand Show data source
RTECS
US4550000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
61 expand Show data source
Safety Statements
53-36-45 expand Show data source
53-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H360 expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
P281-P201-P202-P308+P313-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Eyeshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Purity
≥99.0% (NT) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H7N3O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - A68203 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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