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915922-09-7 molecular structure
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N-(2-aminoethyl)-3-methylpyridin-4-amine

ChemBase ID: 307308
Molecular Formular: C8H13N3
Molecular Mass: 151.20892
Monoisotopic Mass: 151.11094743
SMILES and InChIs

SMILES:
c1(c(NCCN)ccnc1)C
Canonical SMILES:
NCCNc1ccncc1C
InChI:
InChI=1S/C8H13N3/c1-7-6-10-4-2-8(7)11-5-3-9/h2,4,6H,3,5,9H2,1H3,(H,10,11)
InChIKey:
OKUXSALAQVZSJX-UHFFFAOYSA-N

Cite this record

CBID:307308 http://www.chembase.cn/molecule-307308.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-aminoethyl)-3-methylpyridin-4-amine
IUPAC Traditional name
N-(2-aminoethyl)-3-methylpyridin-4-amine
Synonyms
N-(3-methylpyridin-4-yl)ethane-1,2-diamine
CAS Number
915922-09-7
MDL Number
MFCD08059935

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4014008 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.0384974  LogD (pH = 7.4) -3.1448274 
Log P -0.055210903  Molar Refractivity 47.0859 cm3
Polarizability 17.542439 Å3 Polar Surface Area 50.94 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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