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915923-76-1 molecular structure
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3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantan-1-amine

ChemBase ID: 311124
Molecular Formular: C12H19N5
Molecular Mass: 233.31276
Monoisotopic Mass: 233.16404563
SMILES and InChIs

SMILES:
n1(nnc(n1)C)C12CC3(CC(C2)CC(C1)C3)N
Canonical SMILES:
Cc1nnn(n1)C12CC3CC(C1)CC(C2)(C3)N
InChI:
InChI=1S/C12H19N5/c1-8-14-16-17(15-8)12-5-9-2-10(6-12)4-11(13,3-9)7-12/h9-10H,2-7,13H2,1H3
InChIKey:
CCEPUWOMZAMMPD-UHFFFAOYSA-N

Cite this record

CBID:311124 http://www.chembase.cn/molecule-311124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantan-1-amine
IUPAC Traditional name
3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantan-1-amine
Synonyms
3-(5-methyl-2H-tetrazol-2-yl)-1-adamantanamine
CAS Number
915923-76-1
MDL Number
MFCD08691740

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.542792  LogD (pH = 7.4) -2.3300216 
Log P 0.66647714  Molar Refractivity 76.7623 cm3
Polarizability 24.831793 Å3 Polar Surface Area 69.62 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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