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26130-47-2 molecular structure
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3,4-dimethylbenzene-1-carboximidamide

ChemBase ID: 812388
Molecular Formular: C9H12N2
Molecular Mass: 148.20498
Monoisotopic Mass: 148.10004839
SMILES and InChIs

SMILES:
c1(cc(c(cc1)C)C)C(=N)N
Canonical SMILES:
NC(=N)c1ccc(c(c1)C)C
InChI:
InChI=1S/C9H12N2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H3,10,11)
InChIKey:
QQSRGYGYLVLMFU-UHFFFAOYSA-N

Cite this record

CBID:812388 http://www.chembase.cn/molecule-812388.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-dimethylbenzene-1-carboximidamide
IUPAC Traditional name
3,4-dimethylbenzenecarboximidamide
Synonyms
3,4-DIMETHYL-BENZAMIDINE
CAS Number
26130-47-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32424 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32424 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) -0.49485812  LogD (pH = 7.4) -0.49145022 
Log P 1.920557  Molar Refractivity 57.8129 cm3
Polarizability 17.561243 Å3 Polar Surface Area 49.87 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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