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330-70-1 molecular structure
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1,1,1-trifluoro-3-phenylpropan-2-amine hydrochloride

ChemBase ID: 813782
Molecular Formular: C9H11ClF3N
Molecular Mass: 225.6385496
Monoisotopic Mass: 225.0532117
SMILES and InChIs

SMILES:
Cl.C(C(Cc1ccccc1)N)(F)(F)F
Canonical SMILES:
NC(C(F)(F)F)Cc1ccccc1.Cl
InChI:
InChI=1S/C9H10F3N.ClH/c10-9(11,12)8(13)6-7-4-2-1-3-5-7;/h1-5,8H,6,13H2;1H
InChIKey:
GURZIIAEEFYQTL-UHFFFAOYSA-N

Cite this record

CBID:813782 http://www.chembase.cn/molecule-813782.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1-trifluoro-3-phenylpropan-2-amine hydrochloride
IUPAC Traditional name
1,1,1-trifluoro-3-phenylpropan-2-amine hydrochloride
Synonyms
1,1,1-trifluoro-3-phenylpropan-2-amine hydrochloride
CAS Number
330-70-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35868 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35868 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.48043  H Acceptors
H Donor LogD (pH = 5.5) 2.2585096 
LogD (pH = 7.4) 2.4003932  Log P 2.4025388 
Molar Refractivity 44.4067 cm3 Polarizability 16.543411 Å3
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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