Home > Compound List > Compound details
122745-10-2 molecular structure
click picture or here to close

(2S)-2-amino-3-(naphthalen-1-yl)propanoic acid hydrochloride

ChemBase ID: 812636
Molecular Formular: C13H14ClNO2
Molecular Mass: 251.70876
Monoisotopic Mass: 251.07130637
SMILES and InChIs

SMILES:
Cl.N[C@@H](Cc1c2ccccc2ccc1)C(=O)O
Canonical SMILES:
OC(=O)[C@H](Cc1cccc2c1cccc2)N.Cl
InChI:
InChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m0./s1
InChIKey:
BKQQPCDQZZTLSE-YDALLXLXSA-N

Cite this record

CBID:812636 http://www.chembase.cn/molecule-812636.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-3-(naphthalen-1-yl)propanoic acid hydrochloride
IUPAC Traditional name
β-naphthylalanine hydrochloride
Synonyms
3-(1-NAPHTHYL)-L-ALANINE HYDROCHLORIDE
CAS Number
122745-10-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33048 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33048 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.6140146  H Acceptors
H Donor LogD (pH = 5.5) -0.19483837 
LogD (pH = 7.4) -0.19827187  Log P -0.19462584 
Molar Refractivity 61.5665 cm3 Polarizability 25.420156 Å3
Polar Surface Area 63.32 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