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45798-01-4 molecular structure
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4-methylpiperazine-1-carboximidamide

ChemBase ID: 306607
Molecular Formular: C6H14N4
Molecular Mass: 142.20216
Monoisotopic Mass: 142.12184647
SMILES and InChIs

SMILES:
C(=N)(N1CCN(CC1)C)N
Canonical SMILES:
CN1CCN(CC1)C(=N)N
InChI:
InChI=1S/C6H14N4/c1-9-2-4-10(5-3-9)6(7)8/h2-5H2,1H3,(H3,7,8)
InChIKey:
JJAQEBBJCVBCKC-UHFFFAOYSA-N

Cite this record

CBID:306607 http://www.chembase.cn/molecule-306607.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylpiperazine-1-carboximidamide
IUPAC Traditional name
4-methylpiperazine-1-carboximidamide
Synonyms
4-methylpiperazine-1-carboximidamide
CAS Number
45798-01-4
MDL Number
MFCD04116804

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.4385734  LogD (pH = 7.4) -3.3349705 
Log P -0.85013396  Molar Refractivity 51.9782 cm3
Polarizability 15.581526 Å3 Polar Surface Area 56.35 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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