Home > Compound List > Compound details
74247-30-6 molecular structure
click picture or here to close

4-(piperidin-1-yl)butan-1-amine

ChemBase ID: 30798
Molecular Formular: C9H20N2
Molecular Mass: 156.2685
Monoisotopic Mass: 156.16264865
SMILES and InChIs

SMILES:
N1(CCCCN)CCCCC1
Canonical SMILES:
NCCCCN1CCCCC1
InChI:
InChI=1S/C9H20N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-10H2
InChIKey:
ACOXURKIHJSMAC-UHFFFAOYSA-N

Cite this record

CBID:30798 http://www.chembase.cn/molecule-30798.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidin-1-yl)butan-1-amine
IUPAC Traditional name
4-(piperidin-1-yl)butan-1-amine
Synonyms
4-Piperidin-1-yl-butylamine
CAS Number
74247-30-6
MDL Number
MFCD03727285
PubChem SID
160994105
PubChem CID
6484144

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
033460 external link Add to cart Please log in.
Data Source Data ID
PubChem 6484144 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.6723714  LogD (pH = 7.4) -4.434549 
Log P 0.8208742  Molar Refractivity 49.5899 cm3
Polarizability 19.657892 Å3 Polar Surface Area 29.26 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle