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15402-69-4 molecular structure
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5,6,7,8-tetrahydronaphthalen-2-ylmethanamine

ChemBase ID: 308667
Molecular Formular: C11H15N
Molecular Mass: 161.2435
Monoisotopic Mass: 161.12044949
SMILES and InChIs

SMILES:
c12c(ccc(c1)CN)CCCC2
Canonical SMILES:
NCc1ccc2c(c1)CCCC2
InChI:
InChI=1S/C11H15N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8,12H2
InChIKey:
SGCPAUPWLDLCBN-UHFFFAOYSA-N

Cite this record

CBID:308667 http://www.chembase.cn/molecule-308667.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine
IUPAC Traditional name
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine
Synonyms
(5,6,7,8-tetrahydro-2-naphthalenylmethyl)amine
CAS Number
15402-69-4
MDL Number
MFCD08061539

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.44371703  LogD (pH = 7.4) 0.43414778 
Log P 2.5512683  Molar Refractivity 52.0136 cm3
Polarizability 20.225407 Å3 Polar Surface Area 26.02 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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