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104-71-2 molecular structure
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(phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine

ChemBase ID: 106946
Molecular Formular: C16H16N2
Molecular Mass: 236.31164
Monoisotopic Mass: 236.13134852
SMILES and InChIs

SMILES:
C(C/N=C/c1ccccc1)/N=C/c1ccccc1
Canonical SMILES:
N(=C\c1ccccc1)/CC/N=C/c1ccccc1
InChI:
InChI=1S/C16H16N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKey:
QBAKBJNOARBSGP-UHFFFAOYSA-N

Cite this record

CBID:106946 http://www.chembase.cn/molecule-106946.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine
(E)-(phenylmethylidene)({2-[(E)-(phenylmethylidene)amino]ethyl})amine
IUPAC Traditional name
(phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine
(E)-(phenylmethylidene)({2-[(E)-(phenylmethylidene)amino]ethyl})amine
Synonyms
DIBENZYLIDENE ETHYLENEDIAMINE
N1,N2-Dibenzylideneethane-1,2-diamine
CAS Number
104-71-2
MDL Number
MFCD00022040
PubChem SID
162090115
PubChem CID
66033

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66033 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8913174  LogD (pH = 7.4) 3.5260558 
Log P 3.6726465  Molar Refractivity 77.2226 cm3
Polarizability 28.79081 Å3 Polar Surface Area 24.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Purity
95+% expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05201987 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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