Home > Compound List > Compound details
56182-28-6 molecular structure
click picture or here to close

4-(2-aminophenyl)butanoic acid hydrochloride

ChemBase ID: 160399
Molecular Formular: C10H14ClNO2
Molecular Mass: 215.67666
Monoisotopic Mass: 215.07130637
SMILES and InChIs

SMILES:
c1cccc(c1CCCC(=O)O)N.Cl
Canonical SMILES:
OC(=O)CCCc1ccccc1N.Cl
InChI:
InChI=1S/C10H13NO2.ClH/c11-9-6-2-1-4-8(9)5-3-7-10(12)13;/h1-2,4,6H,3,5,7,11H2,(H,12,13);1H
InChIKey:
CIFMHKRERKYNKL-UHFFFAOYSA-N

Cite this record

CBID:160399 http://www.chembase.cn/molecule-160399.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-aminophenyl)butanoic acid hydrochloride
IUPAC Traditional name
4-(2-aminophenyl)butanoic acid hydrochloride
Synonyms
2-Amino-benzenebutanoic Acid Hydrochloride
4-(2-Aminophenyl)butyric Acid, Hydrochloride
CAS Number
56182-28-6
PubChem SID
162254534
PubChem CID
24189422

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A622545 external link Add to cart
PubChem 24189422 external link
Data Source Data ID Price
TRC
A622545 external link Add to cart Please log in.
Data Source Data ID
PubChem 24189422 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.1000175  H Acceptors
H Donor LogD (pH = 5.5) 0.89646906 
LogD (pH = 7.4) -0.8182337  Log P 1.3022003 
Molar Refractivity 51.268 cm3 Polarizability 19.344698 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
188-191°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download 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