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121086-19-9 molecular structure
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4-bromo-N-(propan-2-yl)aniline

ChemBase ID: 311321
Molecular Formular: C9H12BrN
Molecular Mass: 214.10228
Monoisotopic Mass: 213.01531139
SMILES and InChIs

SMILES:
N(c1ccc(Br)cc1)C(C)C
Canonical SMILES:
CC(Nc1ccc(cc1)Br)C
InChI:
InChI=1S/C9H12BrN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey:
GCAYZUSDLCJJAW-UHFFFAOYSA-N

Cite this record

CBID:311321 http://www.chembase.cn/molecule-311321.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-N-(propan-2-yl)aniline
IUPAC Traditional name
4-bromo-N-isopropylaniline
Synonyms
(4-bromophenyl)isopropylamine
CAS Number
121086-19-9
MDL Number
MFCD08691756

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.888255  LogD (pH = 7.4) 2.9867468 
Log P 2.9881597  Molar Refractivity 53.042 cm3
Polarizability 19.716461 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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