Home Amines 1004-64-4
1004-64-4,MFCD19205004
Catalog No.:AA0001U0
1004-64-4 | 1,2-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$285.00   $200.00
- +
5g
98%
in stock  
$1,150.00   $805.00
- +
10g
98%
in stock  
$1,889.00   $1,322.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0001U0
Chemical Name:
1,2-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-
CAS Number:
1004-64-4
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD19205004
IUPAC Name:
4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
InChI:
InChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H2,(H2,8,9)
InChI Key:
YTMJNWHCBGFYPZ-UHFFFAOYSA-N
SMILES:
Nc1noc2c1CCCC2
Properties
Computed Properties
 
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1004-64-4 
4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-amine 
QC-8820 
AJ-82193 
AK137392 
AB0097570 
AX8258960 
Z-9128 
4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-ylaMine 
1,2-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro- 
4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine 
SCHEMBL13545758 
DTXSID70717390 
FCH935924 
ZINC26054499 
AKOS006341107 
Literature
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