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313657-75-9 molecular structure
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(3S)-3-methyl-1-(triphenylmethyl)piperazine

ChemBase ID: 302653
Molecular Formular: C24H26N2
Molecular Mass: 342.47664
Monoisotopic Mass: 342.20959884
SMILES and InChIs

SMILES:
C[C@H]1CN(CCN1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
C[C@@H]1NCCN(C1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C24H26N2/c1-20-19-26(18-17-25-20)24(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25H,17-19H2,1H3/t20-/m0/s1
InChIKey:
VYUQPZHRDKLOPX-FQEVSTJZSA-N

Cite this record

CBID:302653 http://www.chembase.cn/molecule-302653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-methyl-1-(triphenylmethyl)piperazine
IUPAC Traditional name
(3S)-3-methyl-1-(triphenylmethyl)piperazine
Synonyms
(R)-2-Methyl-4-(triphenylmethyl)piperazine
(R)-2-Methyl-4-tritylpiperazine
1-Trityl-(R)-3-methylpiperazine
(S)-3-Methyl-1-trityl-piperazine
1-三甲苯-(R)-3-甲基哌嗪
CAS Number
313657-75-9
625843-74-5
MDL Number
MFCD03426411

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8444941  LogD (pH = 7.4) 3.1645987 
Log P 5.2277713  Molar Refractivity 110.2125 cm3
Polarizability 43.029675 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
128-129°C expand Show data source
Optical Rotation
-7.6 (c=1 in MeOH) 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
26-37-60 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
98%, ee 99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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