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70894-75-6 molecular structure
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[(4-methylphenyl)methyl](propan-2-yl)amine

ChemBase ID: 307552
Molecular Formular: C11H17N
Molecular Mass: 163.25938
Monoisotopic Mass: 163.13609955
SMILES and InChIs

SMILES:
N(Cc1ccc(cc1)C)C(C)C
Canonical SMILES:
CC(NCc1ccc(cc1)C)C
InChI:
InChI=1S/C11H17N/c1-9(2)12-8-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKey:
OOCHMURHBNXLEJ-UHFFFAOYSA-N

Cite this record

CBID:307552 http://www.chembase.cn/molecule-307552.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-methylphenyl)methyl](propan-2-yl)amine
IUPAC Traditional name
isopropyl[(4-methylphenyl)methyl]amine
Synonyms
N-(4-methylbenzyl)propan-2-amine
CAS Number
70894-75-6
MDL Number
MFCD08060641

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
H Acceptors H Donor
LogD (pH = 5.5) -0.3952009  LogD (pH = 7.4) 0.37955573 
Log P 2.818399  Molar Refractivity 53.5146 cm3
Polarizability 21.055412 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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