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162831-31-4 molecular structure
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(adamantan-1-ylmethyl)(5-aminopentyl)amine dihydrobromide

ChemBase ID: 312808
Molecular Formular: C16H32Br2N2
Molecular Mass: 412.24668
Monoisotopic Mass: 410.09322303
SMILES and InChIs

SMILES:
C(CCCCNCC12CC3CC(C2)CC(C1)C3)N.Br.Br
Canonical SMILES:
NCCCCCNCC12CC3CC(C2)CC(C1)C3.Br.Br
InChI:
InChI=1S/C16H30N2.2BrH/c17-4-2-1-3-5-18-12-16-9-13-6-14(10-16)8-15(7-13)11-16;;/h13-15,18H,1-12,17H2;2*1H
InChIKey:
JMPHTNNJCZDROM-UHFFFAOYSA-N

Cite this record

CBID:312808 http://www.chembase.cn/molecule-312808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(adamantan-1-ylmethyl)(5-aminopentyl)amine dihydrobromide
IUPAC Traditional name
(adamantan-1-ylmethyl)(5-aminopentyl)amine dihydrobromide
Synonyms
IEM 1754 dihydrobroMide
CAS Number
162831-31-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Selleck Chemicals S2860 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.8047547  LogD (pH = 7.4) -3.1809504 
Log P 2.4579184  Molar Refractivity 76.9387 cm3
Polarizability 31.102972 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
5-HT Receptor expand Show data source
Salt Data
DihydrobroMide expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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