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36397-51-0 molecular structure
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3-(4-methoxyphenyl)propan-1-amine hydrochloride

ChemBase ID: 797645
Molecular Formular: C10H16ClNO
Molecular Mass: 201.69314
Monoisotopic Mass: 201.09204182
SMILES and InChIs

SMILES:
Cl.C(CCc1ccc(cc1)OC)N
Canonical SMILES:
NCCCc1ccc(cc1)OC.Cl
InChI:
InChI=1S/C10H15NO.ClH/c1-12-10-6-4-9(5-7-10)3-2-8-11;/h4-7H,2-3,8,11H2,1H3;1H
InChIKey:
CSGONQJCJBQOLK-UHFFFAOYSA-N

Cite this record

CBID:797645 http://www.chembase.cn/molecule-797645.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methoxyphenyl)propan-1-amine hydrochloride
IUPAC Traditional name
3-(4-methoxyphenyl)propan-1-amine hydrochloride
Synonyms
3-(4-Methoxyphenyl)propan-1-aMine hydrochloride
CAS Number
36397-51-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9320 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9320 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) -1.3454167  LogD (pH = 7.4) -0.82295954 
Log P 1.6745728  Molar Refractivity 50.3506 cm3
Polarizability 19.83632 Å3 Polar Surface Area 35.25 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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