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132784-74-8 molecular structure
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N-(6-aminopyridin-2-yl)-2,2-dimethylpropanamide

ChemBase ID: 23719
Molecular Formular: C10H15N3O
Molecular Mass: 193.2456
Monoisotopic Mass: 193.12151212
SMILES and InChIs

SMILES:
C(=O)(Nc1nc(N)ccc1)C(C)(C)C
Canonical SMILES:
O=C(C(C)(C)C)Nc1cccc(n1)N
InChI:
InChI=1S/C10H15N3O/c1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H3,11,12,13,14)
InChIKey:
ZEQSQAMGUMPKIB-UHFFFAOYSA-N

Cite this record

CBID:23719 http://www.chembase.cn/molecule-23719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(6-aminopyridin-2-yl)-2,2-dimethylpropanamide
IUPAC Traditional name
N-(6-aminopyridin-2-yl)-2,2-dimethylpropanamide
Synonyms
N-(6-Amino-pyridin-2-yl)-2,2-dimethyl-propionamide
N-(6-Amino-2-pyridinyl)-2,2-dimethylpropanamide
N-(6-Amino-pyridin-2-yl)-2,2-dimethyl-propionamide
CAS Number
132784-74-8
MDL Number
MFCD07366717
PubChem SID
160987026
PubChem CID
15050440

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.970196  H Acceptors
H Donor LogD (pH = 5.5) 1.6671122 
LogD (pH = 7.4) 2.1414163  Log P 2.1528094 
Molar Refractivity 57.7939 cm3 Polarizability 20.978193 Å3
Polar Surface Area 68.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
146 - 148 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H15N3O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000299 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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