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879896-44-3 molecular structure
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(diphenyl-1,3-thiazol-5-yl)methanamine hydrochloride

ChemBase ID: 92592
Molecular Formular: C16H15ClN2S
Molecular Mass: 302.8217
Monoisotopic Mass: 302.06444717
SMILES and InChIs

SMILES:
n1c(c2ccccc2)sc(c1c1ccccc1)CN.Cl
Canonical SMILES:
NCc1sc(nc1c1ccccc1)c1ccccc1.Cl
InChI:
InChI=1S/C16H14N2S.ClH/c17-11-14-15(12-7-3-1-4-8-12)18-16(19-14)13-9-5-2-6-10-13;/h1-10H,11,17H2;1H
InChIKey:
REDARXMRPRJWQP-UHFFFAOYSA-N

Cite this record

CBID:92592 http://www.chembase.cn/molecule-92592.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(diphenyl-1,3-thiazol-5-yl)methanamine hydrochloride
IUPAC Traditional name
(diphenyl-1,3-thiazol-5-yl)methanamine hydrochloride
Synonyms
(2,4-diphenyl-1,3-thiazol-5-yl)methylamine hydrochloride
(2,4-Diphenyl-1,3-thiazol-5-yl)methylamine hydrochloride 97%
CAS Number
879896-44-3
MDL Number
MFCD08435866
PubChem SID
162079290
PubChem CID
18525760

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525760 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0908166  LogD (pH = 7.4) 2.5089316 
Log P 3.9480925  Molar Refractivity 89.3897 cm3
Polarizability 32.811546 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
234-235°C expand Show data source
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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