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51131-55-6 molecular structure
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4-(2-amino-2-methylpropyl)aniline

ChemBase ID: 813900
Molecular Formular: C10H16N2
Molecular Mass: 164.24744
Monoisotopic Mass: 164.13134852
SMILES and InChIs

SMILES:
Nc1ccc(cc1)CC(C)(C)N
Canonical SMILES:
Nc1ccc(cc1)CC(N)(C)C
InChI:
InChI=1S/C10H16N2/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,11-12H2,1-2H3
InChIKey:
GVKXPMXVIMAJIV-UHFFFAOYSA-N

Cite this record

CBID:813900 http://www.chembase.cn/molecule-813900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-amino-2-methylpropyl)aniline
IUPAC Traditional name
4-(2-amino-2-methylpropyl)aniline
Synonyms
4-(2-amino-2-methylpropyl)aniline
CAS Number
51131-55-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36010 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36010 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) -1.830295  LogD (pH = 7.4) -1.4207902 
Log P 1.2559012  Molar Refractivity 53.0438 cm3
Polarizability 20.318073 Å3 Polar Surface Area 52.04 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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