Home Amines 1016776-39-8
1016776-39-8,MFCD09934235
Catalog No.:AA000549
1016776-39-8 | 5-Benzoxazolamine, 2-(1-methylethyl)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$239.00   $168.00
- +
500mg
95.0%
3 weeks  
$397.00   $278.00
- +
1g
95.0%
3 weeks  
$539.00   $378.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA000549
Chemical Name:
5-Benzoxazolamine, 2-(1-methylethyl)-
CAS Number:
1016776-39-8
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD09934235
IUPAC Name:
2-propan-2-yl-1,3-benzoxazol-5-amine
InChI:
InChI=1S/C10H12N2O/c1-6(2)10-12-8-5-7(11)3-4-9(8)13-10/h3-6H,11H2,1-2H3
InChI Key:
WFRDNWDYUJHLHA-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc(o2)C(C)C
Properties
Computed Properties
 
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
1016776-39-8 
2-(propan-2-yl)-1,3-benzoxazol-5-amine 
5-Benzoxazolamine, 2-(1-methylethyl)- 
RT-016666 
EN300-36093 
J-000473 
F8880-1871 
Z367678526 
2-propan-2-yl-1,3-benzoxazol-5-amine 
2-isopropyl-1,3-benzoxazol-5-amine 
AC1Q1OXL 
CTK4A0093 
DTXSID50640798 
ZINC19440094 
AKOS000173000 
MCULE-3228580284 
NE60755 
Literature
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