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61977-85-3 molecular structure
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benzyl(pentan-3-yl)amine

ChemBase ID: 307898
Molecular Formular: C12H19N
Molecular Mass: 177.28596
Monoisotopic Mass: 177.15174961
SMILES and InChIs

SMILES:
N(Cc1ccccc1)C(CC)CC
Canonical SMILES:
CCC(NCc1ccccc1)CC
InChI:
InChI=1S/C12H19N/c1-3-12(4-2)13-10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKey:
VOIZJUMZXMKPAY-UHFFFAOYSA-N

Cite this record

CBID:307898 http://www.chembase.cn/molecule-307898.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl(pentan-3-yl)amine
IUPAC Traditional name
benzyl(pentan-3-yl)amine
Synonyms
N-benzylpentan-3-amine
CAS Number
61977-85-3
MDL Number
MFCD08691717

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) 0.12441197  LogD (pH = 7.4) 0.71585727 
Log P 3.3500223  Molar Refractivity 57.5214 cm3
Polarizability 22.984793 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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