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30651-60-6 molecular structure
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piperazin-1-amine

ChemBase ID: 89491
Molecular Formular: C4H11N3
Molecular Mass: 101.15024
Monoisotopic Mass: 101.09529737
SMILES and InChIs

SMILES:
N1(CCNCC1)N
Canonical SMILES:
NN1CCNCC1
InChI:
InChI=1S/C4H11N3/c5-7-3-1-6-2-4-7/h6H,1-5H2
InChIKey:
IYPZRUYMFDWKSS-UHFFFAOYSA-N

Cite this record

CBID:89491 http://www.chembase.cn/molecule-89491.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperazin-1-amine
IUPAC Traditional name
piperazin-1-amine
Synonyms
1-Aminopiperazine
CAS Number
30651-60-6
MDL Number
MFCD00082807
PubChem SID
162076371
PubChem CID
147392

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR5119 external link Add to cart Please log in.
Data Source Data ID
PubChem 147392 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.3124757  LogD (pH = 7.4) -2.6969545 
Log P -1.4039485  Molar Refractivity 29.9329 cm3
Polarizability 11.748616 Å3 Polar Surface Area 41.29 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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