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306935-00-2 molecular structure
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4-benzyl-2-(bromomethyl)morpholine

ChemBase ID: 80599
Molecular Formular: C12H16BrNO
Molecular Mass: 270.16554
Monoisotopic Mass: 269.04152614
SMILES and InChIs

SMILES:
N1(CC(CBr)OCC1)Cc1ccccc1
Canonical SMILES:
BrCC1OCCN(C1)Cc1ccccc1
InChI:
InChI=1S/C12H16BrNO/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey:
HYDNAFJDFGPLGH-UHFFFAOYSA-N

Cite this record

CBID:80599 http://www.chembase.cn/molecule-80599.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-benzyl-2-(bromomethyl)morpholine
IUPAC Traditional name
4-benzyl-2-(bromomethyl)morpholine
Synonyms
4-Benzyl-2-(bromomethyl)morpholine
CAS Number
306935-00-2
MDL Number
MFCD02682008
PubChem SID
162067719
PubChem CID
2776357

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR23184 external link Add to cart Please log in.
Data Source Data ID
PubChem 2776357 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6859233  LogD (pH = 7.4) 2.5675416 
Log P 2.6058943  Molar Refractivity 65.6722 cm3
Polarizability 25.49405 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
134-136°C/0.5mm expand Show data source
Storage Warning
Corrosive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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