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243462-40-0 molecular structure
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[(2-methylphenyl)methyl](prop-2-en-1-yl)amine

ChemBase ID: 312278
Molecular Formular: C11H15N
Molecular Mass: 161.2435
Monoisotopic Mass: 161.12044949
SMILES and InChIs

SMILES:
c1(c(C)cccc1)CNCC=C
Canonical SMILES:
C=CCNCc1ccccc1C
InChI:
InChI=1S/C11H15N/c1-3-8-12-9-11-7-5-4-6-10(11)2/h3-7,12H,1,8-9H2,2H3
InChIKey:
RRLCEGMVQMHCDV-UHFFFAOYSA-N

Cite this record

CBID:312278 http://www.chembase.cn/molecule-312278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-methylphenyl)methyl](prop-2-en-1-yl)amine
IUPAC Traditional name
[(2-methylphenyl)methyl](prop-2-en-1-yl)amine
Synonyms
N-(2-methylbenzyl)-2-propen-1-amine
CAS Number
243462-40-0
MDL Number
MFCD07407751

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 9070534 external link Add to cart
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) -0.31933123  LogD (pH = 7.4) 1.0432478 
Log P 2.7762659  Molar Refractivity 53.5099 cm3
Polarizability 20.827778 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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