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4230-21-1 molecular structure
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(2-phenoxyethyl)hydrazine hydrochloride

ChemBase ID: 258451
Molecular Formular: C8H13ClN2O
Molecular Mass: 188.65462
Monoisotopic Mass: 188.07164073
SMILES and InChIs

SMILES:
N(N)CCOc1ccccc1.Cl
Canonical SMILES:
NNCCOc1ccccc1.Cl
InChI:
InChI=1S/C8H12N2O.ClH/c9-10-6-7-11-8-4-2-1-3-5-8;/h1-5,10H,6-7,9H2;1H
InChIKey:
KDJBRRKMKRWPBZ-UHFFFAOYSA-N

Cite this record

CBID:258451 http://www.chembase.cn/molecule-258451.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-phenoxyethyl)hydrazine hydrochloride
IUPAC Traditional name
(2-phenoxyethyl)hydrazine hydrochloride
Synonyms
1-(2-phenoxyethyl)hydrazine hydrochloride
CAS Number
4230-21-1
MDL Number
MFCD01722354
PubChem SID
164314361
PubChem CID
12489387

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-41365 external link Add to cart Please log in.
Data Source Data ID
PubChem 12489387 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5965031  LogD (pH = 7.4) 0.8299735 
Log P 0.8339353  Molar Refractivity 55.4479 cm3
Polarizability 17.544014 Å3 Polar Surface Area 47.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.966 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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