Home Amines 108129-35-7
108129-35-7,MFCD06618375
Catalog No.:AA0083UZ
108129-35-7 | 3-Furancarbonitrile,4-acetyl-2-amino-5-methyl-
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1g
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5g
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Technical Information
Catalog Number:
AA0083UZ
Chemical Name:
3-Furancarbonitrile,4-acetyl-2-amino-5-methyl-
CAS Number:
108129-35-7
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD06618375
IUPAC Name:
4-acetyl-2-amino-5-methylfuran-3-carbonitrile
InChI:
InChI=1S/C8H8N2O2/c1-4(11)7-5(2)12-8(10)6(7)3-9/h10H2,1-2H3
InChI Key:
GQPUBWAPTSHCLQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)oc(c1C(=O)C)C
Properties
Computed Properties
 
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
108129-35-7 
4-acetyl-2-amino-5-methyl-3-furonitrile 
DTXSID30402917 
GQPUBWAPTSHCLQ-UHFFFAOYSA-N 
ALBB-010390 
ZINC4200348 
8451AC 
BBL008282 
MFCD06618375 
SBB013520 
STK520654 
AKOS000112171 
4-acetyl-2-amino-5-methylfuran-3-carbonitrile 
MCULE-2358372643 
AJ-48288 
ST095692 
AB0157417 
RT-009338 
FT-0683246 
EN300-10711 
2-Amino-4-acetyl-5-methylfuran-3-carbonitrile 
Y-2303 
AO-080/40334869 
3-Furancarbonitrile,4-acetyl-2-amino-5-methyl- 
I05-1044 
F2100-0220 
C8H8N2O2 
CID4404986 
3-Furancarbonitrile, 4-acetyl-2-amino-5-methyl- 
ZERO/005608 
AC1Q1JEK 
ACMC-20e710 
AC1N94U1 
CTK4A5871 
Literature
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