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155687-67-5 molecular structure
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butyl[(2E)-3-phenylprop-2-en-1-yl]amine

ChemBase ID: 312456
Molecular Formular: C13H19N
Molecular Mass: 189.29666
Monoisotopic Mass: 189.15174961
SMILES and InChIs

SMILES:
C(=C\CNCCCC)/c1ccccc1
Canonical SMILES:
CCCCNC/C=C/c1ccccc1
InChI:
InChI=1S/C13H19N/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h4-10,14H,2-3,11-12H2,1H3/b10-7+
InChIKey:
AZZYKBHEGUJORL-JXMROGBWSA-N

Cite this record

CBID:312456 http://www.chembase.cn/molecule-312456.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyl[(2E)-3-phenylprop-2-en-1-yl]amine
IUPAC Traditional name
butyl[(2E)-3-phenylprop-2-en-1-yl]amine
Synonyms
N-butyl-3-phenyl-2-propen-1-amine
CAS Number
155687-67-5
MDL Number
MFCD07410435

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) 0.2756037  LogD (pH = 7.4) 1.2683283 
Log P 3.4654093  Molar Refractivity 63.4982 cm3
Polarizability 24.68514 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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