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162752-19-4 molecular structure
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5-tert-butyl-2,3-dihydro-1H-inden-2-amine

ChemBase ID: 798995
Molecular Formular: C13H19N
Molecular Mass: 189.29666
Monoisotopic Mass: 189.15174961
SMILES and InChIs

SMILES:
C1(Cc2ccc(cc2C1)C(C)(C)C)N
Canonical SMILES:
NC1Cc2c(C1)cc(cc2)C(C)(C)C
InChI:
InChI=1S/C13H19N/c1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11/h4-6,12H,7-8,14H2,1-3H3
InChIKey:
SYYYHAKQBPMYDQ-UHFFFAOYSA-N

Cite this record

CBID:798995 http://www.chembase.cn/molecule-798995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-tert-butyl-2,3-dihydro-1H-inden-2-amine
IUPAC Traditional name
5-tert-butyl-2,3-dihydro-1H-inden-2-amine
Synonyms
5-tert-butyl-2,3-dihydro-1H-inden-2-amine
CAS Number
162752-19-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13157 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13157 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.014297969  LogD (pH = 7.4) 0.57785994 
Log P 3.0323873  Molar Refractivity 60.9321 cm3
Polarizability 23.838007 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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