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451503-41-6 molecular structure
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(4-fluorophenyl)(phenyl)methanamine hydrochloride

ChemBase ID: 258278
Molecular Formular: C13H13ClFN
Molecular Mass: 237.7004232
Monoisotopic Mass: 237.07205532
SMILES and InChIs

SMILES:
C(c1ccc(cc1)F)(c1ccccc1)N.Cl
Canonical SMILES:
Fc1ccc(cc1)C(c1ccccc1)N.Cl
InChI:
InChI=1S/C13H12FN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
InChIKey:
VYDDTTCGUSKBOE-UHFFFAOYSA-N

Cite this record

CBID:258278 http://www.chembase.cn/molecule-258278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-fluorophenyl)(phenyl)methanamine hydrochloride
IUPAC Traditional name
(4-fluorophenyl)(phenyl)methanamine hydrochloride
Synonyms
(4-fluorophenyl)(phenyl)methylamine hydrochloride
CAS Number
451503-41-6
MDL Number
MFCD08544211
PubChem SID
164314188
PubChem CID
21528804

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-41087 external link Add to cart Please log in.
Data Source Data ID
PubChem 21528804 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.123092316  LogD (pH = 7.4) 1.4414266 
Log P 3.0259564  Molar Refractivity 59.0306 cm3
Polarizability 22.941355 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
289 - 291°C expand Show data source
Hydrophobicity(logP)
2.585 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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