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938458-86-7 molecular structure
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[(1,3-dimethylpyrrolidin-3-yl)methyl](methyl)amine

ChemBase ID: 306643
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1(CC(CC1)(CNC)C)C
Canonical SMILES:
CNCC1(C)CCN(C1)C
InChI:
InChI=1S/C8H18N2/c1-8(6-9-2)4-5-10(3)7-8/h9H,4-7H2,1-3H3
InChIKey:
VOBHWILMARPNBN-UHFFFAOYSA-N

Cite this record

CBID:306643 http://www.chembase.cn/molecule-306643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1,3-dimethylpyrrolidin-3-yl)methyl](methyl)amine
IUPAC Traditional name
[(1,3-dimethylpyrrolidin-3-yl)methyl](methyl)amine
Synonyms
1-(1,3-dimethylpyrrolidin-3-yl)-N-methylmethanamine
CAS Number
938458-86-7
MDL Number
MFCD09055202

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.3959184  LogD (pH = 7.4) -3.281906 
Log P 0.38386804  Molar Refractivity 44.6056 cm3
Polarizability 17.811394 Å3 Polar Surface Area 15.27 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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