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646477-45-4 molecular structure
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8-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride

ChemBase ID: 74047
Molecular Formular: C8H18Cl2N2
Molecular Mass: 213.14792
Monoisotopic Mass: 212.08470395
SMILES and InChIs

SMILES:
N1(C2CC(CC1CC2)N)C.Cl.Cl
Canonical SMILES:
NC1CC2CCC(C1)N2C.Cl.Cl
InChI:
InChI=1S/C8H16N2.2ClH/c1-10-7-2-3-8(10)5-6(9)4-7;;/h6-8H,2-5,9H2,1H3;2*1H
InChIKey:
KVYQKWPZQKGICY-UHFFFAOYSA-N

Cite this record

CBID:74047 http://www.chembase.cn/molecule-74047.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
IUPAC Traditional name
8-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
Synonyms
8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
CAS Number
646477-45-4
MDL Number
MFCD07366481
MFCD01073575
PubChem SID
162038966
PubChem CID
2775928

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2775928 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.2339015  LogD (pH = 7.4) -4.3132205 
Log P -0.073321134  Molar Refractivity 42.2513 cm3
Polarizability 17.072641 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
290(dec.)°C expand Show data source
Storage Warning
Corrosive expand Show data source
Purity
90% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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