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46191-71-3 molecular structure
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(butan-2-yl)[(2-chlorophenyl)methyl]amine

ChemBase ID: 307897
Molecular Formular: C11H16ClN
Molecular Mass: 197.70444
Monoisotopic Mass: 197.0971272
SMILES and InChIs

SMILES:
c1(CNC(CC)C)c(Cl)cccc1
Canonical SMILES:
CCC(NCc1ccccc1Cl)C
InChI:
InChI=1S/C11H16ClN/c1-3-9(2)13-8-10-6-4-5-7-11(10)12/h4-7,9,13H,3,8H2,1-2H3
InChIKey:
AXSGEXKTBMNPPT-UHFFFAOYSA-N

Cite this record

CBID:307897 http://www.chembase.cn/molecule-307897.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(butan-2-yl)[(2-chlorophenyl)methyl]amine
IUPAC Traditional name
[(2-chlorophenyl)methyl](sec-butyl)amine
Synonyms
N-(2-chlorobenzyl)butan-2-amine
CAS Number
46191-71-3
MDL Number
MFCD07407720

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 1.6812118  Log P 3.4315448 
Molar Refractivity 57.8022 cm3 Polarizability 22.933558 Å3
Polar Surface Area 12.03 Å2 H Acceptors
H Donor LogD (pH = 5.5) 0.33081743 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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