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389104-55-6 molecular structure
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1-tert-butylnaphthalen-2-amine

ChemBase ID: 65905
Molecular Formular: C14H17N
Molecular Mass: 199.29148
Monoisotopic Mass: 199.13609955
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(c(cc2)N)C(C)(C)C
Canonical SMILES:
Nc1ccc2c(c1C(C)(C)C)cccc2
InChI:
InChI=1S/C14H17N/c1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15/h4-9H,15H2,1-3H3
InChIKey:
SETIVQDQMWTAMK-UHFFFAOYSA-N

Cite this record

CBID:65905 http://www.chembase.cn/molecule-65905.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-tert-butylnaphthalen-2-amine
IUPAC Traditional name
1-tert-butylnaphthalen-2-amine
Synonyms
1-tert-Butylnaphthalen-2-amine
CAS Number
389104-55-6
MDL Number
MFCD05260577
PubChem SID
162031644
PubChem CID
22167106

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 22167106 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6674945  LogD (pH = 7.4) 3.678708 
Log P 3.6788528  Molar Refractivity 65.8745 cm3
Polarizability 26.420618 Å3 Polar Surface Area 26.02 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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