Home Amines 101258-12-2
101258-12-2,MFCD08444507
Catalog No.:AA00040F
101258-12-2 | Benzenamine, 3-(1-methyl-1H-tetrazol-5-yl)-
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Purity
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250mg
95.0%
3 weeks  
$363.00   $254.00
- +
500mg
95.0%
3 weeks  
$625.00   $438.00
- +
1g
95.0%
3 weeks  
$811.00   $568.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA00040F
Chemical Name:
Benzenamine, 3-(1-methyl-1H-tetrazol-5-yl)-
CAS Number:
101258-12-2
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD08444507
IUPAC Name:
3-(1-methyltetrazol-5-yl)aniline
InChI:
InChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChI Key:
VBBAMBIEAFCKCS-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nnnn1C
Properties
Computed Properties
 
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.086g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.195g/mol
Monoisotopic Mass:
175.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
3-(1-methyl-1H-tetrazol-5-yl)aniline 
101258-12-2 
DTXSID80560576 
VBBAMBIEAFCKCS-UHFFFAOYSA-N 
MFCD08444507 
ZINC10037789 
5-(3-Aminophenyl)-1-methyltetrazole 
AKOS004118084 
1-Methyl-5-(3-aminophenyl)-tetrazole 
MCULE-7795727202 
NE21175 
1-methyl-5-(3-amino-phenyl)-tetrazole 
Benzenamine,3-(1-methyl-1H-tetrazol-5-yl)- 
DB-058583 
RT-008272 
FT-0761212 
EN300-25867 
J-000351 
I14-36170 
Z220564224 
Benzenamine, 3-(1-methyl-1H-tetrazol-5-yl)- 
3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)aniline 
3-(1-methyl-1H-tetrazol-5-yl)Benzenamine 
ACMC-1BTN1 
AC1Q40FL 
SCHEMBL584175 
CTK3J9647 
Literature
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