Home > Compound List > Compound details
915866-72-7 molecular structure
click picture or here to close

1-(1-aminoethyl)naphthalen-2-ol

ChemBase ID: 804654
Molecular Formular: C12H13NO
Molecular Mass: 187.23772
Monoisotopic Mass: 187.09971404
SMILES and InChIs

SMILES:
c1cc2c(cc1)ccc(c2C(C)N)O
Canonical SMILES:
CC(c1c(O)ccc2c1cccc2)N
InChI:
InChI=1S/C12H13NO/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-8,14H,13H2,1H3
InChIKey:
XMXYXFVQPLWZEX-UHFFFAOYSA-N

Cite this record

CBID:804654 http://www.chembase.cn/molecule-804654.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-aminoethyl)naphthalen-2-ol
IUPAC Traditional name
1-(1-aminoethyl)naphthalen-2-ol
Synonyms
1-(1-AMINO-ETHYL)-NAPHTHALEN-2-OL
CAS Number
915866-72-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21769 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21769 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.1054125  H Acceptors
H Donor LogD (pH = 5.5) -0.7104679 
LogD (pH = 7.4) 0.5186702  Log P 1.2276282 
Molar Refractivity 57.3813 cm3 Polarizability 23.740664 Å3
Polar Surface Area 46.25 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