HRID 1308688As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
(S)-N,N'-Dimethyl-1,1'-binaphthyldiamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
93713-30-5- Standard SMILES
CNc1ccc2ccccc2c1-c1c(NC)ccc2ccccc12- InChIKey
PXDKDUXMEHPNCO-UHFFFAOYSA-N- Molecular formula
- C22H20N2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.16264865
Names & identifiers
- Preferred name
- (S)-N,N'-Dimethyl-1,1'-binaphthyldiamine
- IUPAC
- N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine
- English name
- (R)-N,Nμ-Dimethyl-2,2μ-diamino-1,1μ-binaphthyl, (R)-N,Nμ-Dimethyl-1,1μ-binaphthalene-2,2μ-diamine
- Molecular formula
- C22H20N2
- Molecular weight
- 312.41
Names & synonyms
93713-30-5(S)-N,N'-DIMETHYL-1,1'-BINAPHTHYLDIAMINERefChem:408161635-656-293621-64-8N2,N2'-DIMETHYL-[1,1'-BINAPHTHALENE]-2,2'-DIAMINE666175-40-2(R)-N,N'-Dimethyl-1,1'-binaphthyldiamineN,N'-Dimethyl-2,2'-diamino-1,1'-binaphthyl(S)-N2,N2'-Dimethyl-[1,1'-binaphthalene]-2,2'-diamine(R)-N2,N2'-dimethyl-[1,1'-binaphthalene]-2,2'-diamineMFCD10566977
Show more names
(R)-[1,1'-Binaphthalene]-2,2'-diamine, N,N'-dimethyl(R)-N,N′-Dimethyl-1,1′-binaphthyldiamine, CAS 93713-30-51,1'-Binaphthalene]-2,2'-diamine,N2,N2'-dimethyl-, (1R)-(R)-N,Nμ-Dimethyl-2,2μ-diamino-1,1μ-biphthyl, (R)-N,Nμ-Dimethyl-1,1μ-biphthalene-2,2μ-diamine(R)-N,Nμ-Dimethyl-2,2μ-diamino-1,1μ-binaphthyl, (R)-N,Nμ-Dimethyl-1,1μ-binaphthalene-2,2μ-diamine
N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine[1,1'-Binaphthalene]-2,2'-diamine, N,N'-dimethyl(+/-) -rac-N,N'-Dimethyl-1,1'-binaphthyldiamine2,2'-Di(methylamino)-1,1'-binaphthalene(R)-2,2'-Di(methylamino)-1,1'-binaphthaleneSCHEMBL12787291(1R)-N,N'-Dimethyl-[1,1'-binaphthalene]-2,2'-diamine[1,1'-Binaphthalene]-2,2'-diamine, N2,N2'-dimethyl-
Database identifiers
- CAS
93713-30-5- PubChem CID
- 628556
- EC Number
- 635-656-2
- Nikkaji
- J1.833.769J、J511.833F
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 516.1 · 516.1±45.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 4.89 · 4.89±0.40(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- BRN
- 5588762 · 5588762
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335-H413
- Precautionary statements
- P261-P305+P351+P338
Related reactions
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HRID 1308689As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
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HRID 1308692As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
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HRID 1308694As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1308695As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
Compound notes
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