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741698-78-2 molecular structure
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propyl(thiophen-3-ylmethyl)amine

ChemBase ID: 312630
Molecular Formular: C8H13NS
Molecular Mass: 155.26052
Monoisotopic Mass: 155.07687042
SMILES and InChIs

SMILES:
c1(cscc1)CNCCC
Canonical SMILES:
CCCNCc1cscc1
InChI:
InChI=1S/C8H13NS/c1-2-4-9-6-8-3-5-10-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKey:
MZIXPNLTNGCJTB-UHFFFAOYSA-N

Cite this record

CBID:312630 http://www.chembase.cn/molecule-312630.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propyl(thiophen-3-ylmethyl)amine
IUPAC Traditional name
propyl(thiophen-3-ylmethyl)amine
Synonyms
N-(3-thienylmethyl)-1-propanamine
CAS Number
741698-78-2
MDL Number
MFCD07411602

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -0.9880047  LogD (pH = 7.4) 0.07126788 
Log P 2.191367  Molar Refractivity 45.6844 cm3
Polarizability 17.867168 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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