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887595-17-7 molecular structure
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2-(4-hydrazinylbutyl)pyridine

ChemBase ID: 799618
Molecular Formular: C9H15N3
Molecular Mass: 165.2355
Monoisotopic Mass: 165.1265975
SMILES and InChIs

SMILES:
n1c(cccc1)CCCCNN
Canonical SMILES:
NNCCCCc1ccccn1
InChI:
InChI=1S/C9H15N3/c10-12-8-4-2-6-9-5-1-3-7-11-9/h1,3,5,7,12H,2,4,6,8,10H2
InChIKey:
NNZJKEZVTQKEQS-UHFFFAOYSA-N

Cite this record

CBID:799618 http://www.chembase.cn/molecule-799618.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-hydrazinylbutyl)pyridine
IUPAC Traditional name
2-(4-hydrazinylbutyl)pyridine
Synonyms
2-(4-hydrazinylbutyl)pyridine
CAS Number
887595-17-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14427 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14427 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.09228819  LogD (pH = 7.4) 0.73071915 
Log P 0.7484009  Molar Refractivity 60.8846 cm3
Polarizability 19.582506 Å3 Polar Surface Area 50.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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