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6375-16-2 molecular structure
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N-(3-amino-4-methylphenyl)acetamide

ChemBase ID: 45353
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
c1(cc(NC(=O)C)ccc1C)N
Canonical SMILES:
CC(=O)Nc1ccc(c(c1)N)C
InChI:
InChI=1S/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey:
RBQWGHBZCHFUQU-UHFFFAOYSA-N

Cite this record

CBID:45353 http://www.chembase.cn/molecule-45353.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-amino-4-methylphenyl)acetamide
IUPAC Traditional name
N-(3-amino-4-methylphenyl)acetamide
Synonyms
N-(3-Amino-4-methylphenyl)acetamide
N-(3-Amino-4-methylphenyl)acetamide
CAS Number
6375-16-2
MDL Number
MFCD00025202
PubChem SID
162050116
PubChem CID
22865

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.681842  H Acceptors
H Donor LogD (pH = 5.5) 0.8865213 
LogD (pH = 7.4) 0.895338  Log P 0.8954516 
Molar Refractivity 50.6626 cm3 Polarizability 18.109741 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
134 - 136°C expand Show data source
Hydrophobicity(logP)
0.383 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C9H12N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00068 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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