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849776-40-5 molecular structure
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4-benzylpiperidine-1-carboximidamide hydroiodide

ChemBase ID: 101799
Molecular Formular: C13H20IN3
Molecular Mass: 345.22247
Monoisotopic Mass: 345.07019566
SMILES and InChIs

SMILES:
C(=N)(N1CCC(Cc2ccccc2)CC1)N.I
Canonical SMILES:
NC(=N)N1CCC(CC1)Cc1ccccc1.I
InChI:
InChI=1S/C13H19N3.HI/c14-13(15)16-8-6-12(7-9-16)10-11-4-2-1-3-5-11;/h1-5,12H,6-10H2,(H3,14,15);1H
InChIKey:
FIZOSQMUUOLSIC-UHFFFAOYSA-N

Cite this record

CBID:101799 http://www.chembase.cn/molecule-101799.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-benzylpiperidine-1-carboximidamide hydroiodide
IUPAC Traditional name
4-benzylpiperidine-1-carboximidamide hydroiodide
Synonyms
4-benzylpiperidine-1-carboximidamide hydroiodide
CAS Number
849776-40-5
MDL Number
MFCD07355695
PubChem SID
162087171
PubChem CID
18525933

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 18525933 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.39694095  LogD (pH = 7.4) -0.39586642 
Log P 2.0185044  Molar Refractivity 77.3147 cm3
Polarizability 25.421175 Å3 Polar Surface Area 53.11 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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