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1159813-93-0 molecular structure
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(3,3-difluorocyclobutyl)methanamine hydrochloride

ChemBase ID: 63330
Molecular Formular: C5H10ClF2N
Molecular Mass: 157.5894064
Monoisotopic Mass: 157.04698345
SMILES and InChIs

SMILES:
C1(CC(F)(F)C1)CN.Cl
Canonical SMILES:
NCC1CC(C1)(F)F.Cl
InChI:
InChI=1S/C5H9F2N.ClH/c6-5(7)1-4(2-5)3-8;/h4H,1-3,8H2;1H
InChIKey:
GWULAFBJCARIIV-UHFFFAOYSA-N

Cite this record

CBID:63330 http://www.chembase.cn/molecule-63330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,3-difluorocyclobutyl)methanamine hydrochloride
IUPAC Traditional name
(3,3-difluorocyclobutyl)methanamine hydrochloride
Synonyms
(3,3-Difluorocyclobutyl)methanamine hydrochloride
CAS Number
1159813-93-0
MDL Number
MFCD12400850
PubChem SID
162029069
PubChem CID
57415918

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 57415918 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9374795  LogD (pH = 7.4) -2.5187104 
Log P 0.08654327  Molar Refractivity 27.0576 cm3
Polarizability 10.284842 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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