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26171-06-2 molecular structure
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(1-methylpyrrolidin-2-yl)methanamine

ChemBase ID: 24567
Molecular Formular: C6H14N2
Molecular Mass: 114.18876
Monoisotopic Mass: 114.11569846
SMILES and InChIs

SMILES:
N1(C(CN)CCC1)C
Canonical SMILES:
NCC1CCCN1C
InChI:
InChI=1S/C6H14N2/c1-8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3
InChIKey:
JUFKJRCMBLLXNH-UHFFFAOYSA-N

Cite this record

CBID:24567 http://www.chembase.cn/molecule-24567.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-methylpyrrolidin-2-yl)methanamine
IUPAC Traditional name
(1-methylpyrrolidin-2-yl)methanamine
Synonyms
(1-methylpyrrolidin-2-yl)methanamine
(1-Methylpyrrolidin-2-yl)methylamine
1-(1-methyl-2-pyrrolidinyl)methanamine
CAS Number
26171-06-2
MDL Number
MFCD09971798
PubChem SID
160987874
PubChem CID
117300

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 117300 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.1451473  LogD (pH = 7.4) -2.8681512 
Log P -0.1412498  Molar Refractivity 35.1491 cm3
Polarizability 14.118806 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.314 expand Show data source
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

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PATENTS

PATENTS

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INTERNET

INTERNET

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