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162713-22-6 molecular structure
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(5-aminopentyl)(propan-2-yl)amine

ChemBase ID: 10732
Molecular Formular: C8H20N2
Molecular Mass: 144.2578
Monoisotopic Mass: 144.16264865
SMILES and InChIs

SMILES:
CC(NCCCCCN)C
Canonical SMILES:
NCCCCCNC(C)C
InChI:
InChI=1S/C8H20N2/c1-8(2)10-7-5-3-4-6-9/h8,10H,3-7,9H2,1-2H3
InChIKey:
XBPAJDWNIXPXFJ-UHFFFAOYSA-N

Cite this record

CBID:10732 http://www.chembase.cn/molecule-10732.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-aminopentyl)(propan-2-yl)amine
IUPAC Traditional name
(5-aminopentyl)(isopropyl)amine
Synonyms
5-Isopropylaminoamylamine
CAS Number
162713-22-6
MDL Number
MFCD00082995
PubChem SID
160974039
PubChem CID
3303780

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
007608 external link Add to cart Please log in.
Data Source Data ID
PubChem 3303780 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.4559135  LogD (pH = 7.4) -4.771173 
Log P 0.80541176  Molar Refractivity 45.9216 cm3
Polarizability 18.552586 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
78°C/ 8mm expand Show data source
Storage Warning
CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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