Home > Compound List > Compound details
25705-52-6 molecular structure
click picture or here to close

(2R)-2-amino-2-phenylacetic acid hydrochloride

ChemBase ID: 287164
Molecular Formular: C8H10ClNO2
Molecular Mass: 187.6235
Monoisotopic Mass: 187.04000625
SMILES and InChIs

SMILES:
O=C(O)[C@H](N)c1ccccc1.Cl
Canonical SMILES:
N[C@H](c1ccccc1)C(=O)O.Cl
InChI:
InChI=1S/C8H9NO2.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H,10,11);1H/t7-;/m1./s1
InChIKey:
IAZPUJDTYUZJMI-OGFXRTJISA-N

Cite this record

CBID:287164 http://www.chembase.cn/molecule-287164.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-2-phenylacetic acid hydrochloride
IUPAC Traditional name
D-α-phenylglycine hydrochloride
Synonyms
(R)-2-Amino-2-phenylacetic acid hydrochloride
CAS Number
25705-52-6
MDL Number
MFCD08443602
PubChem SID
180672695
PubChem CID
12238435

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD123216 Please log in.
Data Source Data ID
PubChem 12238435 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.2288363  H Acceptors
H Donor LogD (pH = 5.5) -1.4721358 
LogD (pH = 7.4) -1.4860865  Log P -1.4724004 
Molar Refractivity 40.3613 cm3 Polarizability 16.044256 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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