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15717-40-5 molecular structure
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N-[2-(phenylamino)propyl]aniline

ChemBase ID: 108179
Molecular Formular: C15H18N2
Molecular Mass: 226.31682
Monoisotopic Mass: 226.14699859
SMILES and InChIs

SMILES:
CC(CNc1ccccc1)Nc1ccccc1
Canonical SMILES:
CC(Nc1ccccc1)CNc1ccccc1
InChI:
InChI=1S/C15H18N2/c1-13(17-15-10-6-3-7-11-15)12-16-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3
InChIKey:
BBRHQNMMUUMVDE-UHFFFAOYSA-N

Cite this record

CBID:108179 http://www.chembase.cn/molecule-108179.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(phenylamino)propyl]aniline
IUPAC Traditional name
N-[2-(phenylamino)propyl]aniline
Synonyms
N,N'-DIPHENYL-1,2-PROPYLENE DIAMINE
CAS Number
15717-40-5
PubChem SID
162093981
PubChem CID
85899

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05206348 external link Add to cart Please log in.
Data Source Data ID
PubChem 85899 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0366063  LogD (pH = 7.4) 3.135679 
Log P 3.137098  Molar Refractivity 74.9534 cm3
Polarizability 27.790422 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05206348 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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