Home > Compound List > Compound details
105614-25-3 molecular structure
click picture or here to close

2,2-difluorocyclopropan-1-amine hydrochloride

ChemBase ID: 22280
Molecular Formular: C3H6ClF2N
Molecular Mass: 129.5362464
Monoisotopic Mass: 129.01568332
SMILES and InChIs

SMILES:
NC1C(C1)(F)F.Cl
Canonical SMILES:
NC1CC1(F)F.Cl
InChI:
InChI=1S/C3H5F2N.ClH/c4-3(5)1-2(3)6;/h2H,1,6H2;1H
InChIKey:
WSSNWLHFBOKGGL-UHFFFAOYSA-N

Cite this record

CBID:22280 http://www.chembase.cn/molecule-22280.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-difluorocyclopropan-1-amine hydrochloride
IUPAC Traditional name
2,2-difluorocyclopropan-1-amine hydrochloride
Synonyms
2-Amino-1,1-difluorocyclopropane hydrochloride
2,2-Difluorocyclopropylamine hydrochloride
2,2-Difluorocyclopropylamine hydrochloride
2,2-二氟环丙基胺盐酸盐
CAS Number
105614-25-3
MDL Number
MFCD07777150
PubChem SID
160985587
PubChem CID
20161313

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4777142  LogD (pH = 7.4) 0.012057456 
Log P 0.2337291  Molar Refractivity 16.7398 cm3
Polarizability 6.726302 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
145(dec)°C expand Show data source
ca 145°C dec. expand Show data source
Storage Warning
Hygroscopic expand Show data source
Irritant/Hygroscopic expand Show data source
IRRITANT-HARMFUL, MOISTURE SENSITIVE expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle