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214357-95-6 molecular structure
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(3S)-1-methylpyrrolidin-3-amine

ChemBase ID: 63203
Molecular Formular: C5H12N2
Molecular Mass: 100.16218
Monoisotopic Mass: 100.10004839
SMILES and InChIs

SMILES:
N1(C[C@@H](N)CC1)C
Canonical SMILES:
CN1CC[C@@H](C1)N
InChI:
InChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m0/s1
InChIKey:
UNHOPMIDKWXFMF-YFKPBYRVSA-N

Cite this record

CBID:63203 http://www.chembase.cn/molecule-63203.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-1-methylpyrrolidin-3-amine
IUPAC Traditional name
(3S)-1-methylpyrrolidin-3-amine
Synonyms
(3S)-1-Methylpyrrolidin-3-amine
CAS Number
214357-95-6
MDL Number
MFCD09029382
PubChem SID
162028942
PubChem CID
21307223

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068517 external link Add to cart Please log in.
Data Source Data ID
PubChem 21307223 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.3821025  LogD (pH = 7.4) -3.2058868 
Log P -0.6586125  Molar Refractivity 30.5045 cm3
Polarizability 12.272833 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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