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40510-21-2 molecular structure
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(2-aminoethyl)(octyl)amine

ChemBase ID: 812586
Molecular Formular: C10H24N2
Molecular Mass: 172.31096
Monoisotopic Mass: 172.19394878
SMILES and InChIs

SMILES:
C(CN)NCCCCCCCC
Canonical SMILES:
CCCCCCCCNCCN
InChI:
InChI=1S/C10H24N2/c1-2-3-4-5-6-7-9-12-10-8-11/h12H,2-11H2,1H3
InChIKey:
UTPUPJKKYXJFPX-UHFFFAOYSA-N

Cite this record

CBID:812586 http://www.chembase.cn/molecule-812586.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminoethyl)(octyl)amine
IUPAC Traditional name
(2-aminoethyl)(octyl)amine
Synonyms
N-OCTYL-ETHYLENE-1,2-DIAMINE
CAS Number
40510-21-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32853 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32853 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7573261  LogD (pH = 7.4) -0.7669759 
Log P 2.1123114  Molar Refractivity 54.9208 cm3
Polarizability 22.246355 Å3 Polar Surface Area 38.05 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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