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24564-52-1 molecular structure
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4-($l^{5},-diazynylidene)-N,N-dimethylcyclohexa-1,5-dien-1-amine

ChemBase ID: 107823
Molecular Formular: C8H11N3
Molecular Mass: 149.19304
Monoisotopic Mass: 149.09529737
SMILES and InChIs

SMILES:
CN(C)C1=CCC(=[N+]=[N-])C=C1
Canonical SMILES:
[N-]=[N+]=C1CC=C(C=C1)N(C)C
InChI:
InChI=1S/C8H11N3/c1-11(2)8-5-3-7(10-9)4-6-8/h3,5-6H,4H2,1-2H3
InChIKey:
LAXPFHMCFLHGKK-UHFFFAOYSA-N

Cite this record

CBID:107823 http://www.chembase.cn/molecule-107823.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-($l^{5},-diazynylidene)-N,N-dimethylcyclohexa-1,5-dien-1-amine
IUPAC Traditional name
4-($l^{5},-diazynylidene)-N,N-dimethylcyclohexa-1,5-dien-1-amine
Synonyms
p-DIAZODIMETHYLANILINE
CAS Number
24564-52-1
PubChem SID
162094881
PubChem CID
18183675

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05205145 external link Add to cart Please log in.
Data Source Data ID
PubChem 18183675 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.223608  H Acceptors
H Donor LogD (pH = 5.5) -1.2769102 
LogD (pH = 7.4) -1.2059747  Log P -0.9612318 
Molar Refractivity 46.7764 cm3 Polarizability 16.675032 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05205145 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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