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938146-50-0 molecular structure
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2-(4-methylpiperazin-1-yl)propanoic acid

ChemBase ID: 310527
Molecular Formular: C8H16N2O2
Molecular Mass: 172.22484
Monoisotopic Mass: 172.12117776
SMILES and InChIs

SMILES:
N1(C(C(=O)O)C)CCN(CC1)C
Canonical SMILES:
CC(C(=O)O)N1CCN(CC1)C
InChI:
InChI=1S/C8H16N2O2/c1-7(8(11)12)10-5-3-9(2)4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey:
LZRLSYGKEOASIP-UHFFFAOYSA-N

Cite this record

CBID:310527 http://www.chembase.cn/molecule-310527.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylpiperazin-1-yl)propanoic acid
IUPAC Traditional name
2-(4-methylpiperazin-1-yl)propanoic acid
Synonyms
2-(4-methyl-1-piperazinyl)propanoic acid
CAS Number
938146-50-0
MDL Number
MFCD09703819

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -2.6448095  LogD (pH = 7.4) -2.6467097 
Log P -2.6431634  Molar Refractivity 46.6167 cm3
Polarizability 18.314745 Å3 Polar Surface Area 43.78 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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