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931409-74-4 molecular structure
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(3S)-3-(benzyloxy)pyrrolidine hydrochloride

ChemBase ID: 806302
Molecular Formular: C11H16ClNO
Molecular Mass: 213.70384
Monoisotopic Mass: 213.09204182
SMILES and InChIs

SMILES:
Cl.N1C[C@H](CC1)OCc1ccccc1
Canonical SMILES:
C1NC[C@H](C1)OCc1ccccc1.Cl
InChI:
InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1
InChIKey:
HIPRPABXTKKPPY-MERQFXBCSA-N

Cite this record

CBID:806302 http://www.chembase.cn/molecule-806302.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-(benzyloxy)pyrrolidine hydrochloride
IUPAC Traditional name
(3S)-3-(benzyloxy)pyrrolidine hydrochloride
Synonyms
(S)-3-BENZYLOXY-PYRROLIDINE HYDROCHLORIDE
CAS Number
931409-74-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23783 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23783 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) -1.8013366  LogD (pH = 7.4) -1.4199975 
Log P 1.432821  Molar Refractivity 52.9161 cm3
Polarizability 21.036253 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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