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76508-73-1 molecular structure
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4-aminopiperidine-4-carboxylic acid dihydrochloride

ChemBase ID: 813092
Molecular Formular: C6H14Cl2N2O2
Molecular Mass: 217.09356
Monoisotopic Mass: 216.04323306
SMILES and InChIs

SMILES:
Cl.Cl.C1(CCNCC1)(C(=O)O)N
Canonical SMILES:
OC(=O)C1(N)CCNCC1.Cl.Cl
InChI:
InChI=1S/C6H12N2O2.2ClH/c7-6(5(9)10)1-3-8-4-2-6;;/h8H,1-4,7H2,(H,9,10);2*1H
InChIKey:
QAZLRRMYUONDHH-UHFFFAOYSA-N

Cite this record

CBID:813092 http://www.chembase.cn/molecule-813092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminopiperidine-4-carboxylic acid dihydrochloride
IUPAC Traditional name
4-aminopiperidine-4-carboxylic acid dihydrochloride
Synonyms
4-AMINO-PIPERIDINE-4-CARBOXYLIC ACID DIHYDROCHLORIDE
CAS Number
76508-73-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34013 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34013 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.375552  H Acceptors
H Donor LogD (pH = 5.5) -5.929484 
LogD (pH = 7.4) -4.239064  Log P -3.731731 
Molar Refractivity 36.1996 cm3 Polarizability 14.650133 Å3
Polar Surface Area 75.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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