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957062-82-7 molecular structure
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3-chloro-N,2-dimethylaniline hydrochloride

ChemBase ID: 90136
Molecular Formular: C8H11Cl2N
Molecular Mass: 192.08564
Monoisotopic Mass: 191.02685472
SMILES and InChIs

SMILES:
Clc1cccc(c1C)NC.Cl
Canonical SMILES:
CNc1cccc(c1C)Cl.Cl
InChI:
InChI=1S/C8H10ClN.ClH/c1-6-7(9)4-3-5-8(6)10-2;/h3-5,10H,1-2H3;1H
InChIKey:
HBPRPSKNUFNRKO-UHFFFAOYSA-N

Cite this record

CBID:90136 http://www.chembase.cn/molecule-90136.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-N,2-dimethylaniline hydrochloride
IUPAC Traditional name
3-chloro-N,2-dimethylaniline hydrochloride
Synonyms
3-Chloro-N,2-dimethylaniline hydrochloride
CAS Number
957062-82-7
PubChem SID
162076991
PubChem CID
44119592

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 44119592 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.542425  LogD (pH = 7.4) 2.5632184 
Log P 2.56349  Molar Refractivity 46.0978 cm3
Polarizability 16.93322 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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