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933756-92-4 molecular structure
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[2-amino-1-(pyridin-2-yl)ethyl]dimethylamine

ChemBase ID: 307579
Molecular Formular: C9H15N3
Molecular Mass: 165.2355
Monoisotopic Mass: 165.1265975
SMILES and InChIs

SMILES:
C(c1ncccc1)(N(C)C)CN
Canonical SMILES:
NCC(c1ccccn1)N(C)C
InChI:
InChI=1S/C9H15N3/c1-12(2)9(7-10)8-5-3-4-6-11-8/h3-6,9H,7,10H2,1-2H3
InChIKey:
NBDXPIRRODJPLL-UHFFFAOYSA-N

Cite this record

CBID:307579 http://www.chembase.cn/molecule-307579.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-amino-1-(pyridin-2-yl)ethyl]dimethylamine
IUPAC Traditional name
[2-amino-1-(pyridin-2-yl)ethyl]dimethylamine
Synonyms
N~1~,N~1~-dimethyl-1-pyridin-2-ylethane-1,2-diamine
CAS Number
933756-92-4
MDL Number
MFCD09814667

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -2.8527386  LogD (pH = 7.4) -1.1953474 
Log P 0.19341452  Molar Refractivity 49.6167 cm3
Polarizability 19.863752 Å3 Polar Surface Area 42.15 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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