Home Amines 1018446-95-1
1018446-95-1,MFCD20697038
Catalog No.:AA0005MN
1018446-95-1 | tert-Butyl 4-amino-1h-pyrazole-1-carboxylate
Pack Size
Purity
Availability
Price(USD)
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1g
97%
in stock  
$215.00   $150.00
- +
5g
97%
in stock  
$715.00   $500.00
- +
10g
97%
in stock  
$1,191.00   $834.00
- +
25g
97%
in stock  
$2,381.00   $1,667.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0005MN
Chemical Name:
tert-Butyl 4-amino-1h-pyrazole-1-carboxylate
CAS Number:
1018446-95-1
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD20697038
IUPAC Name:
tert-butyl 4-aminopyrazole-1-carboxylate
InChI:
InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,9H2,1-3H3
InChI Key:
FIBAJOZIOKKYHC-UHFFFAOYSA-N
SMILES:
O=C(n1ncc(c1)N)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
tert-butyl 4-amino-1H-pyrazole-1-carboxylate 
1018446-95-1 
tert-butyl 4-aminopyrazole-1-carboxylate 
AK210054 
BS-13879 
DA-16321 
t-Butyl 4-amino-1H-pyrazole-1-carboxylate 
CS-0021375 
FT-0720481 
L-3502 
4-amino-pyrazole-1-carboxylic acid tert-butyl ester 
F2147-1321 
1H-Pyrazole-1-carboxylic acid, 4-amino-, 1,1-dimethylethyl ester 
Z1889902484 
SCHEMBL671541 
FIBAJOZIOKKYHC-UHFFFAOYSA-N 
MFCD20697038 
ZINC90396965 
AKOS024627762 
MCULE-5869020895 
KS-0000086H 
Literature
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