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126062-51-9 molecular structure
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(4-hexylphenyl)hydrazine hydrochloride

ChemBase ID: 15027
Molecular Formular: C12H21ClN2
Molecular Mass: 228.76154
Monoisotopic Mass: 228.13932636
SMILES and InChIs

SMILES:
c1c(ccc(c1)NN)CCCCCC.Cl
Canonical SMILES:
CCCCCCc1ccc(cc1)NN.Cl
InChI:
InChI=1S/C12H20N2.ClH/c1-2-3-4-5-6-11-7-9-12(14-13)10-8-11;/h7-10,14H,2-6,13H2,1H3;1H
InChIKey:
UESGGYWXGDEGAZ-UHFFFAOYSA-N

Cite this record

CBID:15027 http://www.chembase.cn/molecule-15027.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-hexylphenyl)hydrazine hydrochloride
IUPAC Traditional name
(4-hexylphenyl)hydrazine hydrochloride
Synonyms
4-n-Hexylphenylhydrazine hydrochloride
4-(Hex-1-yl)-1-hydrazinobenzene hydrochloride
4-(Hex-1-yl)phenylhydrazine hydrochloride
CAS Number
126062-51-9
MDL Number
MFCD06245514
PubChem SID
160978334
PubChem CID
2760992

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2760992 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8587987  LogD (pH = 7.4) 4.0970845 
Log P 4.1011534  Molar Refractivity 63.8109 cm3
Polarizability 23.903458 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)
Melting Point
219-221°C(dec) expand Show data source
219-221(dec.)°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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