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312619-39-9 molecular structure
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bis[(1R)-1-(naphthalen-1-yl)ethyl]amine hydrochloride

ChemBase ID: 149833
Molecular Formular: C24H24ClN
Molecular Mass: 361.90706
Monoisotopic Mass: 361.15972745
SMILES and InChIs

SMILES:
C[C@H](c1cccc2c1cccc2)N[C@H](C)c1cccc2c1cccc2.Cl
Canonical SMILES:
C[C@H](c1cccc2c1cccc2)N[C@@H](c1cccc2c1cccc2)C.Cl
InChI:
InChI=1S/C24H23N.ClH/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)25-18(2)22-16-8-12-20-10-4-6-14-24(20)22;/h3-18,25H,1-2H3;1H/t17-,18-;/m1./s1
InChIKey:
SESSHTRTZDHACX-JAXOOIEVSA-N

Cite this record

CBID:149833 http://www.chembase.cn/molecule-149833.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis[(1R)-1-(naphthalen-1-yl)ethyl]amine hydrochloride
IUPAC Traditional name
bis[(1R)-1-(naphthalen-1-yl)ethyl]amine hydrochloride
Synonyms
Bis[(R)-(-)-(1-naphthyl)ethyl]amine hydrochloride
双[(R)-(-)-(1-萘基)乙基]胺 盐酸盐
CAS Number
312619-39-9
MDL Number
MFCD00792501
PubChem SID
162243995
24869879
PubChem CID
16213041

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
461652 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213041 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8595257  LogD (pH = 7.4) 3.6908083 
Log P 6.0681715  Molar Refractivity 105.6566 cm3
Polarizability 44.23347 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
280 °C (dec.)(lit.) expand Show data source
Optical Rotation
[α]23/D -185°, c = 2 in methanol expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Linear Formula
[C10H7CH(CH3)]2NH·HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 461652 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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