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Home Amines 127971-53-3
127971-53-3,MFCD01661407
Catalog No.:AA000XIW

127971-53-3 | Benzoic acid, 4-[(1-ethylpropyl)amino]-2-methyl-3,5-dinitro-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$190.00   $133.00
- +
250mg
95%
in stock  
$266.00   $186.00
- +
1g
95%
in stock  
$793.00   $555.00
- +
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Technical Information
Catalog Number:
AA000XIW
Chemical Name:
Benzoic acid, 4-[(1-ethylpropyl)amino]-2-methyl-3,5-dinitro-
CAS Number:
127971-53-3
Molecular Formula:
C13H17N3O6
Molecular Weight:
311.2906
MDL Number:
MFCD01661407
SMILES:
CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)C(=O)O)[N+](=O)[O-])CC
Properties
Computed Properties
 
Complexity:
429  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
3.9  

Literature
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Additional Info:
SDS
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Tags:127971-53-3 Molecular Formula|127971-53-3 MDL|127971-53-3 SMILES|127971-53-3 Benzoic acid, 4-[(1-ethylpropyl)amino]-2-methyl-3,5-dinitro-