Home > Compound List > Compound details
103275-22-5 molecular structure
click picture or here to close

1-(2-bromophenyl)-2-methylpropan-2-amine

ChemBase ID: 815709
Molecular Formular: C10H14BrN
Molecular Mass: 228.12886
Monoisotopic Mass: 227.03096145
SMILES and InChIs

SMILES:
C(C(C)(N)C)c1c(cccc1)Br
Canonical SMILES:
Brc1ccccc1CC(N)(C)C
InChI:
InChI=1S/C10H14BrN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3
InChIKey:
RWOQONCOSDNAGA-UHFFFAOYSA-N

Cite this record

CBID:815709 http://www.chembase.cn/molecule-815709.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-bromophenyl)-2-methylpropan-2-amine
IUPAC Traditional name
1-(2-bromophenyl)-2-methylpropan-2-amine
Synonyms
1-(2-bromophenyl)-2-methylpropan-2-amine
CAS Number
103275-22-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38100 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38100 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) -0.16996634  LogD (pH = 7.4) 0.26249114 
Log P 2.8535798  Molar Refractivity 55.9662 cm3
Polarizability 21.836786 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle