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40691-66-5 molecular structure
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2,2-diphenylpropan-1-aminium chloride

ChemBase ID: 302433
Molecular Formular: C15H18ClN
Molecular Mass: 247.76312
Monoisotopic Mass: 247.11277726
SMILES and InChIs

SMILES:
CC(C[NH3+])(c1ccccc1)c1ccccc1.[Cl-]
Canonical SMILES:
[NH3+]CC(c1ccccc1)(c1ccccc1)C.[Cl-]
InChI:
InChI=1S/C15H17N.ClH/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,12,16H2,1H3;1H
InChIKey:
AASCJSPDUDWGGQ-UHFFFAOYSA-N

Cite this record

CBID:302433 http://www.chembase.cn/molecule-302433.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-diphenylpropan-1-aminium chloride
IUPAC Traditional name
2,2-diphenylpropan-1-aminium chloride
Synonyms
2,2-Diphenylpropylamine hydrochloride
2,2-联苯基丙基胺 盐酸盐
CAS Number
40691-66-5
EC Number
255-039-8
MDL Number
MFCD00008133
Beilstein Number
3709987

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L15615 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.28779417  LogD (pH = 7.4) 1.3075129 
Log P 3.2644532  Molar Refractivity 90.0383 cm3
Polarizability 26.919573 Å3 Polar Surface Area 27.64 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
250-256°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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