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685828-16-4 molecular structure
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(3S)-3-methoxypyrrolidine hydrochloride

ChemBase ID: 796123
Molecular Formular: C5H12ClNO
Molecular Mass: 137.60788
Monoisotopic Mass: 137.06074169
SMILES and InChIs

SMILES:
Cl.N1C[C@H](CC1)OC
Canonical SMILES:
CO[C@@H]1CNCC1.Cl
InChI:
InChI=1S/C5H11NO.ClH/c1-7-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKey:
SQMYKVUSWPIFEQ-JEDNCBNOSA-N

Cite this record

CBID:796123 http://www.chembase.cn/molecule-796123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-methoxypyrrolidine hydrochloride
IUPAC Traditional name
(3S)-3-methoxypyrrolidine hydrochloride
Synonyms
(S)-3-Methoxypyrrolidine hydrochloride
CAS Number
685828-16-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1546 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1546 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) -3.5258338  LogD (pH = 7.4) -3.1452615 
Log P -0.2916521  Molar Refractivity 28.3035 cm3
Polarizability 11.428371 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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