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462068-51-5 molecular structure
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2-(1,4-dimethylpiperazin-2-yl)acetic acid

ChemBase ID: 306805
Molecular Formular: C8H16N2O2
Molecular Mass: 172.22484
Monoisotopic Mass: 172.12117776
SMILES and InChIs

SMILES:
N1(C(CC(=O)O)CN(CC1)C)C
Canonical SMILES:
CN1CCN(CC1CC(=O)O)C
InChI:
InChI=1S/C8H16N2O2/c1-9-3-4-10(2)7(6-9)5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey:
KOKQHWWFKGJYCZ-UHFFFAOYSA-N

Cite this record

CBID:306805 http://www.chembase.cn/molecule-306805.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1,4-dimethylpiperazin-2-yl)acetic acid
IUPAC Traditional name
(1,4-dimethylpiperazin-2-yl)acetic acid
Synonyms
(1,4-dimethylpiperazin-2-yl)acetic acid
CAS Number
462068-51-5
MDL Number
MFCD02737860

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.928033  LogD (pH = 7.4) -2.9211838 
Log P -2.916388  Molar Refractivity 46.4924 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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