Home > Compound List > Compound details
915781-03-2 molecular structure
click picture or here to close

1-(1-amino-2-methylpropyl)naphthalen-2-ol hydrochloride

ChemBase ID: 806616
Molecular Formular: C14H18ClNO
Molecular Mass: 251.75182
Monoisotopic Mass: 251.10769188
SMILES and InChIs

SMILES:
Cl.c1cc2c(cc1)ccc(c2C(C(C)C)N)O
Canonical SMILES:
CC(C(c1c(O)ccc2c1cccc2)N)C.Cl
InChI:
InChI=1S/C14H17NO.ClH/c1-9(2)14(15)13-11-6-4-3-5-10(11)7-8-12(13)16;/h3-9,14,16H,15H2,1-2H3;1H
InChIKey:
OOBOYUJDMYNQID-UHFFFAOYSA-N

Cite this record

CBID:806616 http://www.chembase.cn/molecule-806616.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-amino-2-methylpropyl)naphthalen-2-ol hydrochloride
IUPAC Traditional name
1-(1-amino-2-methylpropyl)naphthalen-2-ol hydrochloride
Synonyms
1-(1-AMINO-2-METHYL-PROPYL)NAPHTHALEN-2-OL HYDROCHLORIDE
CAS Number
915781-03-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24375 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24375 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.122126  H Acceptors
H Donor LogD (pH = 5.5) 0.17245178 
LogD (pH = 7.4) 1.3904717  Log P 2.1118057 
Molar Refractivity 66.3769 cm3 Polarizability 27.434061 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