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700-63-0 molecular structure
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2-amino-2-phenylacetamide

ChemBase ID: 252504
Molecular Formular: C8H10N2O
Molecular Mass: 150.1778
Monoisotopic Mass: 150.07931295
SMILES and InChIs

SMILES:
C(=O)(C(c1ccccc1)N)N
Canonical SMILES:
NC(c1ccccc1)C(=O)N
InChI:
InChI=1S/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)
InChIKey:
KIYRSYYOVDHSPG-UHFFFAOYSA-N

Cite this record

CBID:252504 http://www.chembase.cn/molecule-252504.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-phenylacetamide
IUPAC Traditional name
acetamide, 2-amino-2-phenyl-
Synonyms
2-amino-2-phenylacetamide
CAS Number
700-63-0
MDL Number
MFCD00025498
PubChem SID
164308414
PubChem CID
12791

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12791 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.122173  H Acceptors
H Donor LogD (pH = 5.5) -2.2010598 
LogD (pH = 7.4) -0.5249433  Log P -0.017988766 
Molar Refractivity 42.1835 cm3 Polarizability 16.739655 Å3
Polar Surface Area 69.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
129 - 131°C expand Show data source
Hydrophobicity(logP)
-0.394 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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