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1629-33-0 molecular structure
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(2-aminoethyl)(methyl)(2-phenylethyl)amine

ChemBase ID: 307365
Molecular Formular: C11H18N2
Molecular Mass: 178.27402
Monoisotopic Mass: 178.14699859
SMILES and InChIs

SMILES:
N(CCc1ccccc1)(CCN)C
Canonical SMILES:
NCCN(CCc1ccccc1)C
InChI:
InChI=1S/C11H18N2/c1-13(10-8-12)9-7-11-5-3-2-4-6-11/h2-6H,7-10,12H2,1H3
InChIKey:
QNEUMPZMEXPLOM-UHFFFAOYSA-N

Cite this record

CBID:307365 http://www.chembase.cn/molecule-307365.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)(methyl)(2-phenylethyl)amine
IUPAC Traditional name
(2-aminoethyl)(methyl)(2-phenylethyl)amine
Synonyms
N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CAS Number
1629-33-0
MDL Number
MFCD09864331

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) -3.0582504  LogD (pH = 7.4) -0.82812005 
Log P 1.40632  Molar Refractivity 57.3055 cm3
Polarizability 22.572285 Å3 Polar Surface Area 29.26 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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