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807343-02-8 molecular structure
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[(2-methylphenyl)methyl](propyl)amine

ChemBase ID: 312380
Molecular Formular: C11H17N
Molecular Mass: 163.25938
Monoisotopic Mass: 163.13609955
SMILES and InChIs

SMILES:
c1(c(C)cccc1)CNCCC
Canonical SMILES:
CCCNCc1ccccc1C
InChI:
InChI=1S/C11H17N/c1-3-8-12-9-11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3
InChIKey:
FTQVVVUFLSQTNK-UHFFFAOYSA-N

Cite this record

CBID:312380 http://www.chembase.cn/molecule-312380.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-methylphenyl)methyl](propyl)amine
IUPAC Traditional name
[(2-methylphenyl)methyl](propyl)amine
Synonyms
(2-methylbenzyl)propylamine
CAS Number
807343-02-8
MDL Number
MFCD07410290

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) -0.29247645  LogD (pH = 7.4) 0.44066745 
Log P 2.9243464  Molar Refractivity 53.6198 cm3
Polarizability 21.055687 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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