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86695-06-9 molecular structure
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2-amino-3-methyl-1,1-diphenylbutan-1-ol

ChemBase ID: 101900
Molecular Formular: C17H21NO
Molecular Mass: 255.35474
Monoisotopic Mass: 255.1623143
SMILES and InChIs

SMILES:
C(C(N)C(C)C)(c1ccccc1)(c1ccccc1)O
Canonical SMILES:
NC(C(c1ccccc1)(c1ccccc1)O)C(C)C
InChI:
InChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3
InChIKey:
LNQVZZGGOZBOQS-UHFFFAOYSA-N

Cite this record

CBID:101900 http://www.chembase.cn/molecule-101900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-methyl-1,1-diphenylbutan-1-ol
IUPAC Traditional name
2-amino-3-methyl-1,1-diphenylbutan-1-ol
Synonyms
2-amino-3-methyl-1,1-diphenylbutan-1-ol
CAS Number
86695-06-9
MDL Number
MFCD00205594
PubChem SID
162089926
PubChem CID
3808242

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 3808242 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.879378  H Acceptors
H Donor LogD (pH = 5.5) 0.30183846 
LogD (pH = 7.4) 1.2963921  Log P 3.2822719 
Molar Refractivity 78.6115 cm3 Polarizability 31.327772 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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