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235093-98-8 molecular structure
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(3R)-3-methylpyrrolidine hydrochloride

ChemBase ID: 800326
Molecular Formular: C5H12ClN
Molecular Mass: 121.60848
Monoisotopic Mass: 121.06582707
SMILES and InChIs

SMILES:
Cl.N1C[C@@H](CC1)C
Canonical SMILES:
C[C@H]1CNCC1.Cl
InChI:
InChI=1S/C5H11N.ClH/c1-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H/t5-;/m1./s1
InChIKey:
JDJFUMBJQINVKP-NUBCRITNSA-N

Cite this record

CBID:800326 http://www.chembase.cn/molecule-800326.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-methylpyrrolidine hydrochloride
IUPAC Traditional name
(3R)-3-methylpyrrolidine hydrochloride
Synonyms
(R)-3-Methyl-pyrrolidine hydrochloride
CAS Number
235093-98-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15784 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15784 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.663311  LogD (pH = 7.4) -2.6034849 
Log P 0.5778918  Molar Refractivity 26.706 cm3
Polarizability 10.75224 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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