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398491-61-7

398491-61-7 | tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate

CAS No: 398491-61-7 Catalog No: AG0037X3 MDL No:MFCD08275051

Product Description

Catalog Number:
AG0037X3
Chemical Name:
tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
CAS Number:
398491-61-7
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
MDL Number:
MFCD08275051
IUPAC Name:
tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C12H20N4O2/c1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13/h6H2,1-5H3,(H3,13,14,15)
InChI Key:
XOQXOJPUZGHMLL-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1(C)C)[nH]nc2N)OC(C)(C)C

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.159g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.318g/mol
Monoisotopic Mass:
252.159g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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