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MFCD03410966 molecular structure
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[4-(bromomethyl)phenyl]methanamine

ChemBase ID: 90802
Molecular Formular: C8H10BrN
Molecular Mass: 200.0757
Monoisotopic Mass: 198.99966133
SMILES and InChIs

SMILES:
NCc1ccc(cc1)CBr
Canonical SMILES:
NCc1ccc(cc1)CBr
InChI:
InChI=1S/C8H10BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2
InChIKey:
FVFJGQJXAWCHIE-UHFFFAOYSA-N

Cite this record

CBID:90802 http://www.chembase.cn/molecule-90802.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(bromomethyl)phenyl]methanamine
IUPAC Traditional name
[4-(bromomethyl)phenyl]methanamine
Synonyms
1-[4-(Bromomethyl)phenyl]methylamine
4-(Bromomethyl)benzylamine 97%
MDL Number
MFCD03410966
PubChem SID
162077533
PubChem CID
24721042

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6190 external link Add to cart Please log in.
Data Source Data ID
PubChem 24721042 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1162169  LogD (pH = 7.4) -0.17758444 
Log P 1.8717515  Molar Refractivity 47.3818 cm3
Polarizability 18.156803 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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