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50534-42-4 molecular structure
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N,N-dimethylpyrrolidin-3-amine dihydrochloride

ChemBase ID: 48033
Molecular Formular: C6H16Cl2N2
Molecular Mass: 187.11064
Monoisotopic Mass: 186.06905388
SMILES and InChIs

SMILES:
N1CC(N(C)C)CC1.Cl.Cl
Canonical SMILES:
CN(C1CNCC1)C.Cl.Cl
InChI:
InChI=1S/C6H14N2.2ClH/c1-8(2)6-3-4-7-5-6;;/h6-7H,3-5H2,1-2H3;2*1H
InChIKey:
LCPKWRSLMCUOOZ-UHFFFAOYSA-N

Cite this record

CBID:48033 http://www.chembase.cn/molecule-48033.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethylpyrrolidin-3-amine dihydrochloride
IUPAC Traditional name
N,N-dimethylpyrrolidin-3-amine dihydrochloride
Synonyms
N,N-Dimethyl-3-pyrrolidinamine dihydrochloride
N-diMethylpyrrolidin-3-aMine dihydrochloride
CAS Number
50534-42-4
MDL Number
MFCD13561578
PubChem SID
162052796
PubChem CID
22120278

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22120278 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.6740437  LogD (pH = 7.4) -3.3091161 
Log P -0.22603208  Molar Refractivity 35.2791 cm3
Polarizability 14.118806 Å3 Polar Surface Area 15.27 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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