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1202865-05-1 molecular structure
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1-(trifluoromethyl)cyclopentan-1-amine hydrochloride

ChemBase ID: 142433
Molecular Formular: C6H11ClF3N
Molecular Mass: 189.6064496
Monoisotopic Mass: 189.0532117
SMILES and InChIs

SMILES:
C1CCC(C1)(C(F)(F)F)N.Cl
Canonical SMILES:
FC(C1(N)CCCC1)(F)F.Cl
InChI:
InChI=1S/C6H10F3N.ClH/c7-6(8,9)5(10)3-1-2-4-5;/h1-4,10H2;1H
InChIKey:
CFUZVKOHXYZANX-UHFFFAOYSA-N

Cite this record

CBID:142433 http://www.chembase.cn/molecule-142433.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(trifluoromethyl)cyclopentan-1-amine hydrochloride
IUPAC Traditional name
1-(trifluoromethyl)cyclopentan-1-amine hydrochloride
Synonyms
1-Amino-1-(trifluoromethyl)cyclopentane hydrochloride
(±)-1-(Trifluoromethyl)cyclopentanamine hydrochloride
1-氨基-1-(三氟甲基)环戊烷 盐酸盐
(±)-1-(三氟甲基)环戊胺 盐酸盐
CAS Number
1202865-05-1
MDL Number
MFCD15143665
PubChem SID
162236663
PubChem CID
71310734

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
725846 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310734 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1095687  LogD (pH = 7.4) 1.5964777 
Log P 1.6081079  Molar Refractivity 31.6717 cm3
Polarizability 11.997668 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
≥96.0% expand Show data source
96.0-104.0% (AT) expand Show data source
Empirical Formula (Hill Notation)
C6H10F3N · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 725846 external link
Packaging
500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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