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14703-88-9 molecular structure
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4-(methylamino)-3-nitrophenol

ChemBase ID: 806167
Molecular Formular: C7H8N2O3
Molecular Mass: 168.15002
Monoisotopic Mass: 168.05349213
SMILES and InChIs

SMILES:
c1(cc(c(cc1)NC)[N+](=O)[O-])O
Canonical SMILES:
CNc1ccc(cc1[N+](=O)[O-])O
InChI:
InChI=1S/C7H8N2O3/c1-8-6-3-2-5(10)4-7(6)9(11)12/h2-4,8,10H,1H3
InChIKey:
DQCLXPYMTDGXPJ-UHFFFAOYSA-N

Cite this record

CBID:806167 http://www.chembase.cn/molecule-806167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(methylamino)-3-nitrophenol
IUPAC Traditional name
4-(methylamino)-3-nitrophenol
Synonyms
4-(N-METHYLAMINO)-3-NITRO PHENOL
CAS Number
14703-88-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23512 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23512 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.866686  H Acceptors
H Donor LogD (pH = 5.5) 1.7322332 
LogD (pH = 7.4) 1.7179488  Log P 1.7324429 
Molar Refractivity 44.5532 cm3 Polarizability 15.848274 Å3
Polar Surface Area 75.4 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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