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120375-57-7 molecular structure
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6-phenylhexan-1-amine hydrochloride

ChemBase ID: 176580
Molecular Formular: C12H20ClN
Molecular Mass: 213.7469
Monoisotopic Mass: 213.12842733
SMILES and InChIs

SMILES:
c1ccccc1CCCCCCN.Cl
Canonical SMILES:
NCCCCCCc1ccccc1.Cl
InChI:
InChI=1S/C12H19N.ClH/c13-11-7-2-1-4-8-12-9-5-3-6-10-12;/h3,5-6,9-10H,1-2,4,7-8,11,13H2;1H
InChIKey:
JYKYEUDNRJFMMW-UHFFFAOYSA-N

Cite this record

CBID:176580 http://www.chembase.cn/molecule-176580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-phenylhexan-1-amine hydrochloride
IUPAC Traditional name
6-phenylhexan-1-amine hydrochloride
Synonyms
Benzenehexanamine, Hydrochloride
CAS Number
120375-57-7
PubChem SID
164232490
PubChem CID
46782742

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P329051 external link Add to cart
PubChem 46782742 external link
Data Source Data ID Price
TRC
P329051 external link Add to cart Please log in.
Data Source Data ID
PubChem 46782742 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.14196189  LogD (pH = 7.4) 0.56173843 
Log P 3.16595  Molar Refractivity 57.6904 cm3
Polarizability 22.906502 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
CHloroform expand Show data source
DMSO expand Show data source
Methanol expand Show data source
Apperance
White to Off-White Solid expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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