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66411-54-9 molecular structure
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[(2S)-1-methylpyrrolidin-2-yl]methanamine

ChemBase ID: 63316
Molecular Formular: C6H14N2
Molecular Mass: 114.18876
Monoisotopic Mass: 114.11569846
SMILES and InChIs

SMILES:
[C@@H]1(N(CCC1)C)CN
Canonical SMILES:
NC[C@@H]1CCCN1C
InChI:
InChI=1S/C6H14N2/c1-8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m0/s1
InChIKey:
JUFKJRCMBLLXNH-LURJTMIESA-N

Cite this record

CBID:63316 http://www.chembase.cn/molecule-63316.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2S)-1-methylpyrrolidin-2-yl]methanamine
IUPAC Traditional name
[(2S)-1-methylpyrrolidin-2-yl]methanamine
Synonyms
(S)-(-)-1-Methyl-2-aminomethylpyrrolidine
CAS Number
66411-54-9
MDL Number
MFCD11106680
PubChem SID
162029055
PubChem CID
21307221

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068633 external link Add to cart Please log in.
Data Source Data ID
PubChem 21307221 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

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

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PATENTS

PATENTS

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INTERNET

INTERNET

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