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89850-95-3 molecular structure
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methyl[(1-methylpyrrolidin-3-yl)methyl]amine

ChemBase ID: 270692
Molecular Formular: C7H16N2
Molecular Mass: 128.21534
Monoisotopic Mass: 128.13134852
SMILES and InChIs

SMILES:
N1(CC(CC1)CNC)C
Canonical SMILES:
CNCC1CCN(C1)C
InChI:
InChI=1S/C7H16N2/c1-8-5-7-3-4-9(2)6-7/h7-8H,3-6H2,1-2H3
InChIKey:
ZLDWGNZSKNMPRQ-UHFFFAOYSA-N

Cite this record

CBID:270692 http://www.chembase.cn/molecule-270692.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(1-methylpyrrolidin-3-yl)methyl]amine
IUPAC Traditional name
methyl[(1-methylpyrrolidin-3-yl)methyl]amine
Synonyms
N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
methyl[(1-methylpyrrolidin-3-yl)methyl]amine
CAS Number
89850-95-3
MDL Number
MFCD07643216
PubChem SID
164326602
PubChem CID
15021556

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15021556 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.037455  LogD (pH = 7.4) -3.9755592 
Log P -0.10848353  Molar Refractivity 40.2627 cm3
Polarizability 15.965017 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.57 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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