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MFCD09035158 molecular structure
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1-(4-methylpiperazin-1-yl)propan-2-amine dihydrochloride

ChemBase ID: 71604
Molecular Formular: C8H21Cl2N3
Molecular Mass: 230.17844
Monoisotopic Mass: 229.11125305
SMILES and InChIs

SMILES:
N1(CC(N)C)CCN(CC1)C.Cl.Cl
Canonical SMILES:
CC(CN1CCN(CC1)C)N.Cl.Cl
InChI:
InChI=1S/C8H19N3.2ClH/c1-8(9)7-11-5-3-10(2)4-6-11;;/h8H,3-7,9H2,1-2H3;2*1H
InChIKey:
RBKUUFJCIONMRZ-UHFFFAOYSA-N

Cite this record

CBID:71604 http://www.chembase.cn/molecule-71604.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methylpiperazin-1-yl)propan-2-amine dihydrochloride
IUPAC Traditional name
1-(4-methylpiperazin-1-yl)propan-2-amine dihydrochloride
Synonyms
[1-Methyl-2-(4-methylpiperazin-1-yl)ethyl]amine dihydrochloride
MDL Number
MFCD09035158
PubChem SID
162037092
PubChem CID
71299241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 71299241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.8233886  LogD (pH = 7.4) -3.2254703 
Log P -0.34311974  Molar Refractivity 48.4068 cm3
Polarizability 19.332188 Å3 Polar Surface Area 32.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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