Home > Compound List > Compound details
109-54-6 molecular structure
click picture or here to close

(3-chloropropyl)dimethylamine

ChemBase ID: 67274
Molecular Formular: C5H12ClN
Molecular Mass: 121.60848
Monoisotopic Mass: 121.06582707
SMILES and InChIs

SMILES:
C(CCN(C)C)Cl
Canonical SMILES:
ClCCCN(C)C
InChI:
InChI=1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
InChIKey:
NYYRRBOMNHUCLB-UHFFFAOYSA-N

Cite this record

CBID:67274 http://www.chembase.cn/molecule-67274.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-chloropropyl)dimethylamine
IUPAC Traditional name
(3-chloropropyl)dimethylamine
Synonyms
3-Chloro-N,N-dimethylpropan-1-amine
3-Chloro-1-(N,N-dimethyl)propylamine
CAS Number
109-54-6
MDL Number
MFCD00044496
PubChem SID
162033010
PubChem CID
66960

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66960 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0992334  LogD (pH = 7.4) -0.38915446 
Log P 0.914619  Molar Refractivity 34.1968 cm3
Polarizability 13.281594 Å3 Polar Surface Area 3.24 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

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