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23838-73-5 molecular structure
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1-N-ethylbenzene-1,2-diamine

ChemBase ID: 60438
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
c1(c(N)cccc1)NCC
Canonical SMILES:
CCNc1ccccc1N
InChI:
InChI=1S/C8H12N2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2,9H2,1H3
InChIKey:
FRPAGJPHUNNVLJ-UHFFFAOYSA-N

Cite this record

CBID:60438 http://www.chembase.cn/molecule-60438.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-N-ethylbenzene-1,2-diamine
IUPAC Traditional name
1-N-ethylbenzene-1,2-diamine
Synonyms
1-N-ethylbenzene-1,2-diamine
N-Ethylbenzene-1,2-diamine
CAS Number
23838-73-5
MDL Number
MFCD11186962
PubChem SID
162026179
PubChem CID
90275

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 90275 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8136645  LogD (pH = 7.4) 0.971471 
Log P 0.9739059  Molar Refractivity 45.7008 cm3
Polarizability 16.30619 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.943 expand Show data source
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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