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762213-03-6 molecular structure
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(pentan-3-yl)(propyl)amine

ChemBase ID: 307900
Molecular Formular: C8H19N
Molecular Mass: 129.24316
Monoisotopic Mass: 129.15174961
SMILES and InChIs

SMILES:
N(C(CC)CC)CCC
Canonical SMILES:
CCCNC(CC)CC
InChI:
InChI=1S/C8H19N/c1-4-7-9-8(5-2)6-3/h8-9H,4-7H2,1-3H3
InChIKey:
QLEKHMZVJVKWQZ-UHFFFAOYSA-N

Cite this record

CBID:307900 http://www.chembase.cn/molecule-307900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(pentan-3-yl)(propyl)amine
IUPAC Traditional name
pentan-3-yl(propyl)amine
Synonyms
(1-ethylpropyl)propylamine
CAS Number
762213-03-6
MDL Number
MFCD08691719

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4024896 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7346289  LogD (pH = 7.4) -0.5725431 
Log P 2.5048797  Molar Refractivity 42.1814 cm3
Polarizability 17.036163 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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