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675112-80-8 molecular structure
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4-amino-N-ethylpiperidine-1-carboxamide hydrochloride

ChemBase ID: 55068
Molecular Formular: C8H18ClN3O
Molecular Mass: 207.70102
Monoisotopic Mass: 207.11383989
SMILES and InChIs

SMILES:
N1(C(=O)NCC)CCC(CC1)N.Cl
Canonical SMILES:
CCNC(=O)N1CCC(CC1)N.Cl
InChI:
InChI=1S/C8H17N3O.ClH/c1-2-10-8(12)11-5-3-7(9)4-6-11;/h7H,2-6,9H2,1H3,(H,10,12);1H
InChIKey:
RWOPCVUICHJAOR-UHFFFAOYSA-N

Cite this record

CBID:55068 http://www.chembase.cn/molecule-55068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-N-ethylpiperidine-1-carboxamide hydrochloride
IUPAC Traditional name
4-amino-N-ethylpiperidine-1-carboxamide hydrochloride
Synonyms
4-Amino-N-ethylpiperidine-1-carboxamide hydrochloride
CAS Number
675112-80-8
MDL Number
MFCD17014406
PubChem SID
162059831
PubChem CID
46785843

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
060241 external link Add to cart Please log in.
Data Source Data ID
PubChem 46785843 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.779456  H Acceptors
H Donor LogD (pH = 5.5) -4.142645 
LogD (pH = 7.4) -3.5736768  Log P -1.1248199 
Molar Refractivity 47.9631 cm3 Polarizability 18.61435 Å3
Polar Surface Area 58.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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