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41876-75-9 molecular structure
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N-[(1E)-(dimethylamino)methylidene]benzamide

ChemBase ID: 54079
Molecular Formular: C10H12N2O
Molecular Mass: 176.21508
Monoisotopic Mass: 176.09496301
SMILES and InChIs

SMILES:
N(/C=N/C(=O)c1ccccc1)(C)C
Canonical SMILES:
CN(/C=N/C(=O)c1ccccc1)C
InChI:
InChI=1S/C10H12N2O/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+
InChIKey:
DKWUEAZDXGFDFD-DHZHZOJOSA-N

Cite this record

CBID:54079 http://www.chembase.cn/molecule-54079.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1E)-(dimethylamino)methylidene]benzamide
IUPAC Traditional name
N-[(1E)-(dimethylamino)methylidene]benzamide
Synonyms
N-[1-Dimethylaminomethylidene]benzamide
CAS Number
41876-75-9
MDL Number
MFCD00187256
PubChem SID
162058842
PubChem CID
4309686

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
058992 external link Add to cart Please log in.
Data Source Data ID
PubChem 4309686 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9134592  LogD (pH = 7.4) 0.92100894 
Log P 0.92110604  Molar Refractivity 52.2603 cm3
Polarizability 19.599707 Å3 Polar Surface Area 32.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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