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1011407-28-5 molecular structure
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2-(bromomethyl)-1-methylpiperidine

ChemBase ID: 309777
Molecular Formular: C7H14BrN
Molecular Mass: 192.09676
Monoisotopic Mass: 191.03096145
SMILES and InChIs

SMILES:
N1(C(CBr)CCCC1)C
Canonical SMILES:
BrCC1CCCCN1C
InChI:
InChI=1S/C7H14BrN/c1-9-5-3-2-4-7(9)6-8/h7H,2-6H2,1H3
InChIKey:
HCUCPVSXWXKPQD-UHFFFAOYSA-N

Cite this record

CBID:309777 http://www.chembase.cn/molecule-309777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromomethyl)-1-methylpiperidine
IUPAC Traditional name
2-(bromomethyl)-1-methylpiperidine
Synonyms
2-(bromomethyl)-1-methylpiperidine
CAS Number
1011407-28-5
MDL Number
MFCD10037664

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4044778 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4342574  LogD (pH = 7.4) 1.3182232 
Log P 1.9502878  Molar Refractivity 44.1271 cm3
Polarizability 17.098726 Å3 Polar Surface Area 3.24 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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