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1156835-52-7 molecular structure
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2-[methyl(piperidin-4-yl)amino]acetic acid

ChemBase ID: 309480
Molecular Formular: C8H16N2O2
Molecular Mass: 172.22484
Monoisotopic Mass: 172.12117776
SMILES and InChIs

SMILES:
N(CC(=O)O)(C1CCNCC1)C
Canonical SMILES:
CN(C1CCNCC1)CC(=O)O
InChI:
InChI=1S/C8H16N2O2/c1-10(6-8(11)12)7-2-4-9-5-3-7/h7,9H,2-6H2,1H3,(H,11,12)
InChIKey:
OXRSIRFWLGEGHU-UHFFFAOYSA-N

Cite this record

CBID:309480 http://www.chembase.cn/molecule-309480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[methyl(piperidin-4-yl)amino]acetic acid
IUPAC Traditional name
[methyl(piperidin-4-yl)amino]acetic acid
Synonyms
N-methyl-N-4-piperidinylglycine
CAS Number
1156835-52-7
MDL Number
MFCD12086950

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) -5.924679  LogD (pH = 7.4) -4.178803 
Log P -3.384665  Molar Refractivity 46.2291 cm3
Polarizability 18.314745 Å3 Polar Surface Area 52.57 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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