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22777-05-5,MFCD09607985
Catalog No.:AA00C3TL

22777-05-5 | 5-Methyl-[1,4]diazepane

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
96%
2 weeks  
$53.00   $37.00
- +
100mg
96%
2 weeks  
$119.00   $84.00
- +
250mg
97%
2 weeks  
$148.00   $104.00
- +
500mg
97%
2 weeks  
$218.00   $153.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C3TL
Chemical Name:
5-Methyl-[1,4]diazepane
CAS Number:
22777-05-5
Molecular Formula:
C6H14N2
Molecular Weight:
114.1888
MDL Number:
MFCD09607985
SMILES:
CC1NCCNCC1
Properties
Properties
 
BP:
174.5°C at 760 mmHg  
Form:
Liquid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
63.5  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.1  

Upstream Synthesis Route

[1]Patent:EP1074545,2001,A1,

Downstream Synthesis Route
194032-16-1    22777-05-5   
hexahydro-5-methyl-1-(4-methyl-5-isoquinolinyl)sulfonyl-1H-1,4-diazepinedihydrochloride 

[1]Patent:US6153608,2000,A

194032-33-2    22777-05-5   
1-(4-Fluoro-5-isoquinolinesulfonyl)-5-methylhexahydro-1H-1,4-diazepine 

[1]Patent:EP1074545,2001,A1

[1]Patent:EP1074545,2001,A1

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:22777-05-5 Molecular Formula|22777-05-5 MDL|22777-05-5 SMILES|22777-05-5 5-Methyl-[1,4]diazepane
Catalog No.: AA00C3TL
22777-05-5,MFCD09607985
22777-05-5 | 5-Methyl-[1,4]diazepane
Pack Size： 25mg
Purity： 96%
2 weeks
$53.00 $37.00
Pack Size： 100mg
Purity： 96%
2 weeks
$119.00 $84.00
Pack Size： 250mg
Purity： 97%
2 weeks
$148.00 $104.00
Pack Size： 500mg
Purity： 97%
2 weeks
$218.00 $153.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C3TL
Chemical Name: 5-Methyl-[1,4]diazepane
CAS Number: 22777-05-5
Molecular Formula: C6H14N2
Molecular Weight: 114.1888
MDL Number: MFCD09607985
SMILES: CC1NCCNCC1
Properties
BP: 174.5°C at 760 mmHg  
Form: Liquid  
Storage: Inert atmosphere;2-8℃;  
Complexity: 63.5  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.1  
Upstream Synthesis Route
107-80-2    140-28-3    22777-05-5 

[1]Patent:EP1074545,2001,A1,

Downstream Synthesis Route
194032-16-1    22777-05-5   
hexahydro-5-methyl-1-(4-methyl-5-isoquinolinyl)sulfonyl-1H-1,4-diazepinedihydrochloride 

[1]Patent:US6153608,2000,A

194032-33-2    22777-05-5   
1-(4-Fluoro-5-isoquinolinesulfonyl)-5-methylhexahydro-1H-1,4-diazepine 

[1]Patent:EP1074545,2001,A1

501-53-1    22777-05-5    217972-87-7 

[1]Patent:EP1074545,2001,A1

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