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(1R)-8-(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
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ChemBase ID:
136248
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Molecular Formular:
C22H22NP
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Molecular Mass:
331.390541
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Monoisotopic Mass:
331.14898634
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SMILES and InChIs
SMILES:
c1ccc(cc1)P(c1ccccc1)c1cccc2c1[C@@H](CCC2)N
Canonical SMILES:
N[C@@H]1CCCc2c1c(ccc2)P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C22H22NP/c23-20-15-7-9-17-10-8-16-21(22(17)20)24(18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-6,8,10-14,16,20H,7,9,15,23H2/t20-/m1/s1
InChIKey:
KTWOFTBMHDQUEE-HXUWFJFHSA-N
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Cite this record
CBID:136248 http://www.chembase.cn/molecule-136248.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R)-8-(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
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IUPAC Traditional name
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(1R)-8-(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
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Synonyms
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(R)-8-(Diphenylphosphino)-1,2,3,4-tetrahydronaphthalen-1-amine
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(R)-1-Amino-8-diphenylphosphino-1,2,3,4-tetrahydronaphthalene
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(R)-(-)-8-Diphenylphosphino-1,2,3,4-tetrahydro-1-naphthylamine
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(R)-8-(二苯基膦)-1,2,3,4-四氢萘-1-胺
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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1.7778989
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LogD (pH = 7.4)
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3.161592
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Log P
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5.0687
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Molar Refractivity
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102.2781 cm3
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Polarizability
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40.41284 Å3
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Polar Surface Area
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26.02 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
716685
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Packaging 250 mg in glass bottle Legal Information Sold under license from Kanata Chemical Technologies Inc. for research purposes only. |
PATENTS
PATENTS
PubChem Patent
Google Patent