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771572-99-7 molecular structure
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2-(aminomethyl)-4-fluoroaniline

ChemBase ID: 180077
Molecular Formular: C7H9FN2
Molecular Mass: 140.1581632
Monoisotopic Mass: 140.07497652
SMILES and InChIs

SMILES:
NCc1c(ccc(c1)F)N
Canonical SMILES:
NCc1cc(F)ccc1N
InChI:
InChI=1S/C7H9FN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,4,9-10H2
InChIKey:
YXHQROMOUZVGCF-UHFFFAOYSA-N

Cite this record

CBID:180077 http://www.chembase.cn/molecule-180077.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(aminomethyl)-4-fluoroaniline
IUPAC Traditional name
2-(aminomethyl)-4-fluoroaniline
Synonyms
2-Amino-5-fluorobenzyl Amine
2-(AMINOMETHYL)-4-FLUOROANILINE
CAS Number
771572-99-7
PubChem SID
164235987
PubChem CID
45116710

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45116710 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.465665  LogD (pH = 7.4) -1.0889404 
Log P 0.41279024  Molar Refractivity 39.4482 cm3
Polarizability 14.4908085 Å3 Polar Surface Area 52.04 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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