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1094670-20-8 molecular structure
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(3S)-3-phenylpyrrolidine hydrochloride

ChemBase ID: 800330
Molecular Formular: C10H14ClN
Molecular Mass: 183.67786
Monoisotopic Mass: 183.08147713
SMILES and InChIs

SMILES:
Cl.N1C[C@@H](CC1)c1ccccc1
Canonical SMILES:
C1NC[C@@H](C1)c1ccccc1.Cl
InChI:
InChI=1S/C10H13N.ClH/c1-2-4-9(5-3-1)10-6-7-11-8-10;/h1-5,10-11H,6-8H2;1H/t10-;/m1./s1
InChIKey:
DNSSGEPIODMCQR-HNCPQSOCSA-N

Cite this record

CBID:800330 http://www.chembase.cn/molecule-800330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-phenylpyrrolidine hydrochloride
IUPAC Traditional name
(3S)-3-phenylpyrrolidine hydrochloride
Synonyms
(S)-3-Phenyl-pyrrolidine hydrochloride
CAS Number
1094670-20-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15790 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15790 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) -1.5278814  LogD (pH = 7.4) -1.369493 
Log P 1.7116958  Molar Refractivity 46.801 cm3
Polarizability 18.46428 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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