Home Amines 81864-62-2
81864-62-2,MFCD02103699
Catalog No.:AA003NG3
81864-62-2 | 8-Nitro-3,4-dihydro-2h-1,5-benzodioxepin-7-amine
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2.5g
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$437.00   $306.00
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Technical Information
Catalog Number:
AA003NG3
Chemical Name:
8-Nitro-3,4-dihydro-2h-1,5-benzodioxepin-7-amine
CAS Number:
81864-62-2
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD02103699
IUPAC Name:
7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine
InChI:
InChI=1S/C9H10N2O4/c10-6-4-8-9(5-7(6)11(12)13)15-3-1-2-14-8/h4-5H,1-3,10H2
InChI Key:
AFALZDMHQHIVNC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCCCOc2cc1N
Properties
Computed Properties
 
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-amine 
81864-62-2 
AFALZDMHQHIVNC-UHFFFAOYSA-N 
ZINC3888828 
6499AJ 
KM2097 
MFCD02103699 
AKOS001133159 
MCULE-7932542337 
TRA0001298 
KS-000009S3 
AJ-47337 
8-Nitro-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-amine 
AS-31559 
CJ-11196 
SY003731 
AB0050836 
DB-012754 
TC-308045 
FT-0769854 
ST24045810 
EN300-13757 
MFCD02103699 (95%) 
AC1N5ZPA 
AB00734541-01 
SR-01000070916 
7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-amine 
J-511192 
SR-01000070916-1 
7-amino-8-nitro-3,4-dihydro-1H-1,5-benzodioxepine 
7-amino-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine 
Z94598690 
3,4-Dihydro-8-nitro-2h-Benzo[b][1,4]dioxepin-7-ylamine 
C9H10N2O4 
AC1Q50SF 
ZINC03888828 
CID4252033 
13078-15-4 
Oprea1_141908 
SCHEMBL10842418 
SCHEMBL10845962 
CTK5E9161 
DTXSID10401246 
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