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5319-67-5 molecular structure
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diphenylmethanimine hydrochloride

ChemBase ID: 289464
Molecular Formular: C13H12ClN
Molecular Mass: 217.69408
Monoisotopic Mass: 217.06582707
SMILES and InChIs

SMILES:
N=C(c1ccccc1)c1ccccc1.Cl
Canonical SMILES:
N=C(c1ccccc1)c1ccccc1.Cl
InChI:
InChI=1S/C13H11N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,14H;1H
InChIKey:
QXHZCMMSAPYFKT-UHFFFAOYSA-N

Cite this record

CBID:289464 http://www.chembase.cn/molecule-289464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diphenylmethanimine hydrochloride
IUPAC Traditional name
benzenemethanimine, α-phenyl- hydrochloride
Synonyms
Diphenylmethanimine hydrochloride
CAS Number
5319-67-5
MDL Number
MFCD00161097
PubChem SID
180674995
PubChem CID
12234619

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD221328 Please log in.
Data Source Data ID
PubChem 12234619 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.06251387  LogD (pH = 7.4) 0.8871091 
Log P 3.4452603  Molar Refractivity 69.1055 cm3
Polarizability 22.551716 Å3 Polar Surface Area 23.85 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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