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73325-61-8 molecular structure
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benzyl(thiophen-2-ylmethyl)amine

ChemBase ID: 91121
Molecular Formular: C12H13NS
Molecular Mass: 203.30332
Monoisotopic Mass: 203.07687042
SMILES and InChIs

SMILES:
s1cccc1CNCc1ccccc1
Canonical SMILES:
c1ccc(cc1)CNCc1cccs1
InChI:
InChI=1S/C12H13NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2
InChIKey:
GEWKIDGKZRKUFB-UHFFFAOYSA-N

Cite this record

CBID:91121 http://www.chembase.cn/molecule-91121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl(thiophen-2-ylmethyl)amine
IUPAC Traditional name
benzyl(thiophen-2-ylmethyl)amine
Synonyms
N-Benzyl-1-(thiophen-2-yl)methanamine
2-Thienyl N-benzyl methyl amine
CAS Number
73325-61-8
148883-56-1
MDL Number
MFCD01764729
PubChem SID
162077825
PubChem CID
961320

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 961320 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.2534091  LogD (pH = 7.4) 1.860171 
Log P 3.1689491  Molar Refractivity 60.8085 cm3
Polarizability 23.799154 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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