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14334-41-9 molecular structure
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4,4-diphenyl-N-(propan-2-yl)cyclohexan-1-amine hydrochloride

ChemBase ID: 176857
Molecular Formular: C21H28ClN
Molecular Mass: 329.90672
Monoisotopic Mass: 329.19102758
SMILES and InChIs

SMILES:
C1CC(CCC1(c1ccccc1)c1ccccc1)NC(C)C.Cl
Canonical SMILES:
CC(NC1CCC(CC1)(c1ccccc1)c1ccccc1)C.Cl
InChI:
InChI=1S/C21H27N.ClH/c1-17(2)22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,17,20,22H,13-16H2,1-2H3;1H
InChIKey:
BMBNXHMQMNPCIV-UHFFFAOYSA-N

Cite this record

CBID:176857 http://www.chembase.cn/molecule-176857.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4-diphenyl-N-(propan-2-yl)cyclohexan-1-amine hydrochloride
IUPAC Traditional name
N-isopropyl-4,4-diphenylcyclohexan-1-amine hydrochloride
Synonyms
N-(1-Methylethyl)-4,4-diphenylcyclohexanamine Hydrochloride
N-Isopropyl-4,4-diphenylcyclohexylamine Hydrochloride
EMD 9806
HSp 2986
Monoverin
Sistalgin
Pramiverin Hydrochloride
CAS Number
14334-41-9
PubChem SID
164232767
PubChem CID
197926

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC P700780 external link Add to cart
PubChem 197926 external link
Data Source Data ID Price
TRC
P700780 external link Add to cart Please log in.
Data Source Data ID
PubChem 197926 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9956725  LogD (pH = 7.4) 2.1953228 
Log P 5.2344494  Molar Refractivity 104.5831 cm3
Polarizability 37.341663 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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

DETAILS

TRC TRC
Toronto Research Chemicals - P700780 external link
A cyclohexanamine derivative with spasmolytic and analgesic activity. An effective anticholinergic agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Chieri, R. A.: Arzneim.-Forsch., 26, 696 (1976)
  • • Enenkel, H.J.: Arzneim.-Forsch., 26, 690 (1976)
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PATENTS

PATENTS

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INTERNET

INTERNET

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