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1185054-60-7 molecular structure
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[3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]bis(2H3)methylamine

ChemBase ID: 164694
Molecular Formular: C16H19ClN2
Molecular Mass: 274.78846
Monoisotopic Mass: 274.1236763
SMILES and InChIs

SMILES:
n1ccccc1C(c1ccc(cc1)Cl)CCN(C)C
Canonical SMILES:
CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C
InChI:
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
InChIKey:
SOYKEARSMXGVTM-UHFFFAOYSA-N

Cite this record

CBID:164694 http://www.chembase.cn/molecule-164694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]bis(2H3)methylamine
IUPAC Traditional name
[3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]bis(2H3)methylamine
Synonyms
2-[p-Chloro-α-(2-dimethyl-aminoethyl)benzyl]pyridine-d6
1-(p-Chlorophenyl)-1-(2-pyridil)-3-dimethylaminopropane-d6
Chlorprophenpyridamine-d6
Chlorphenamine-d6
Haynon-d6
Chlorpheniramine-d6Discontinued see C424303
CAS Number
1185054-60-7
PubChem SID
162258829
PubChem CID
45038670

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C424302 external link Add to cart
PubChem 45038670 external link
Data Source Data ID Price
TRC
C424302 external link Add to cart Please log in.
Data Source Data ID
PubChem 45038670 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.20455076  LogD (pH = 7.4) 1.5225012 
Log P 3.584951  Molar Refractivity 80.8503 cm3
Polarizability 31.551079 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Yellow Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

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  • • Roth, F.E., et al.: J. Pharmacol. Exp. Ther., 124, 347 (1958)
  • • Smith, R.B., et al.: Toxicol. Appl. Pharmacol., 28, 240 (1958)
  • • Eckhart, C.G., et al.: Anal. Profiles Drug Subs., 7, 43 (1978)
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PATENTS

PATENTS

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INTERNET

INTERNET

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