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102392-83-6 molecular structure
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pyrrolidine-1-carboximidamide hydroiodide

ChemBase ID: 101611
Molecular Formular: C5H12IN3
Molecular Mass: 241.07335
Monoisotopic Mass: 241.0075954
SMILES and InChIs

SMILES:
C(=N)(N1CCCC1)N.I
Canonical SMILES:
NC(=N)N1CCCC1.I
InChI:
InChI=1S/C5H11N3.HI/c6-5(7)8-3-1-2-4-8;/h1-4H2,(H3,6,7);1H
InChIKey:
XPASGQSDLPDWNV-UHFFFAOYSA-N

Cite this record

CBID:101611 http://www.chembase.cn/molecule-101611.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrrolidine-1-carboximidamide hydroiodide
IUPAC Traditional name
pyrrolidine-1-carboximidamide hydroiodide
Synonyms
pyrrolidine-1-carboximidamide hydroiodide
CAS Number
102392-83-6
MDL Number
MFCD00114285
PubChem SID
162088625
PubChem CID
2794596

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 2794596 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.70691  LogD (pH = 7.4) -2.7064862 
Log P -0.29145607  Molar Refractivity 43.4691 cm3
Polarizability 12.215329 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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