Home Amines 100841-04-1
100841-04-1,MFCD09923512
Catalog No.:AA0002X7
100841-04-1 | 3-(4-Nitrophenoxy)propylamine
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1g
98%
in stock  
$215.00   $150.00
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5g
98%
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$778.00   $545.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0002X7
Chemical Name:
3-(4-Nitrophenoxy)propylamine
CAS Number:
100841-04-1
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD09923512
IUPAC Name:
3-(4-nitrophenoxy)propan-1-amine
InChI:
InChI=1S/C9H12N2O3/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13/h2-5H,1,6-7,10H2
InChI Key:
OQDSYPZEHFBRIK-UHFFFAOYSA-N
SMILES:
NCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
3-(4-nitrophenoxy)propan-1-amine 
100841-04-1 
1-Propanamine, 3-(4-nitrophenoxy)- 
AKOS009163866 
AJ-31416 
SY008311 
AB1001090 
AX8173974 
DB-058504 
TC-307225 
FT-0741214 
MFCD09923512 (95%) 
3-(4-NITROPHENOXY)PROPYLAMINE 
null 
C9H12N2O3 
CID308766 
1-(3-AMINOPROPOXY)-4-NITROBENZENE 
30483-75-1 
3-(4-nitrophenoxy)-1-Propanamine 
PubChem19193 
AC1L7DLC 
SCHEMBL10927319 
DTXSID40309029 
ZINC1746398 
5665AJ 
Literature
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