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87571-88-8 molecular structure
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(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

ChemBase ID: 63192
Molecular Formular: C8H16N2
Molecular Mass: 140.22604
Monoisotopic Mass: 140.13134852
SMILES and InChIs

SMILES:
[C@@H]12CC[C@@H](C[C@@H](N)C1)N2C
Canonical SMILES:
N[C@@H]1C[C@@H]2CC[C@H](C1)N2C
InChI:
InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-
InChIKey:
HJGMRAKQWLKWMH-RNLVFQAGSA-N

Cite this record

CBID:63192 http://www.chembase.cn/molecule-63192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
IUPAC Traditional name
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
Synonyms
(1S,5R)-8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
CAS Number
87571-88-8
MDL Number
MFCD00215843
PubChem SID
162028931
PubChem CID
736442

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068506 external link Add to cart Please log in.
Data Source Data ID
PubChem 736442 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

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>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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