1.0
2010-04-08 22:12:16 UTC
2019-11-26 03:12:48 UTC
FDB016144
6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine
6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine is a flavouring ingredient. It is found in coffee aroma, asparagus, wheat bread, rye bread, cocoa, green tea, roasted barley, roasted filbert, roasted peanut, fried chicken, wild rice, roast almond, baked potato, earth-almond (Cyperus esculentus) and other foods.
5-Methyl -6,7-dihydrocyclopentapyrazine
5-methyl-(5H)-6,7-dihydrocyclo- pentapyrazine
5-Methyl-5H-cyclopenta[b]pyrazine
5-Methyl-6,7-dihydro-(5H)-cyclopentapyrazine
5-Methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
FEMA 3306
C8H10N2
134.1784
134.08439833
5-methyl-5H,6H,7H-cyclopenta[b]pyrazine
5-methyl-5H,6H,7H-cyclopenta[b]pyrazine
23747-48-0
CC1CCC2=C1N=CC=N2
InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3
YZEFQPIMXZVPKP-UHFFFAOYSA-N
logp
1.27
logs
-0.46
solubility
4.60e+01 g/l
logp
0.84
pka_strongest_basic
1.25
iupac
5-methyl-5H,6H,7H-cyclopenta[b]pyrazine
average_mass
134.1784
mono_mass
134.08439833
smiles
CC1CCC2=C1N=CC=N2
formula
C8H10N2
inchi
InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3
inchikey
YZEFQPIMXZVPKP-UHFFFAOYSA-N
polar_surface_area
25.78
refractivity
38.35
polarizability
14.81
rotatable_bond_count
0
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7411
Specdb::MsIr
7412
Specdb::CMs
11914
Specdb::CMs
167457
Specdb::NmrOneD
139150
Specdb::NmrOneD
139151
Specdb::NmrOneD
139152
Specdb::NmrOneD
139153
Specdb::NmrOneD
139154
Specdb::NmrOneD
139155
Specdb::NmrOneD
139156
Specdb::NmrOneD
139157
Specdb::NmrOneD
139158
Specdb::NmrOneD
139159
Specdb::NmrOneD
139160
Specdb::NmrOneD
139161
Specdb::NmrOneD
139162
Specdb::NmrOneD
139163
Specdb::NmrOneD
139164
Specdb::NmrOneD
139165
Specdb::NmrOneD
139166
Specdb::NmrOneD
139167
Specdb::NmrOneD
139168
Specdb::NmrOneD
139169
Specdb::MsMs
70923
Specdb::MsMs
70924
Specdb::MsMs
70925
Specdb::MsMs
129495
Specdb::MsMs
129496
Specdb::MsMs
129497
Specdb::MsMs
2693318
Specdb::MsMs
2693319
Specdb::MsMs
2693320
Specdb::MsMs
2986099
Specdb::MsMs
2986100
Specdb::MsMs
2986101
HMDB37149
#<Reference:0x00005556748b30b0>
Arabica coffee
Type 1
specific
Coffea arabica
13443
Black tea
Type 1
Breakfast cereal
Type 2
specific
Cereals and cereal products
Unknown
generic
Cocoa and cocoa products
Unknown
generic
Cocoa bean
Type 1
specific
Theobroma cacao
3641
Coffee and coffee products
Unknown
generic
Green tea
Type 1
Green vegetables
Unknown
generic
Herbal tea
Type 1
Nuts
Unknown
generic
Potato
Type 1
specific
Solanum tuberosum
4113
Red tea
Type 1
Robusta coffee
Type 1
specific
Coffea canephora
49390
Tea
Type 1
specific
Camellia sinensis
4442
baked
earthy
nut
peanut
potato
roast
roasted