1.0
2020-04-06 11:07:15 UTC
2020-04-06 23:43:20 UTC
FDB111680
N-Acetyldopamine
C10H13NO3
195.2151
195.089543287
N-[2-(3,4-dihydroxyphenyl)ethyl]ethanimidic acid
N-[2-(3,4-dihydroxyphenyl)ethyl]ethanimidic acid
CC(O)=NCCC1=CC(O)=C(O)C=C1
InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)
OFSAJYZMIPNPHE-UHFFFAOYSA-N
belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety.
Catechols
Organic compounds
Benzenoids
Phenols
Benzenediols
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Benzene and substituted derivatives
Carboximidic acids
Hydrocarbon derivatives
Organonitrogen compounds
Organooxygen compounds
Organopnictogen compounds
Propargyl-type 1,3-dipolar organic compounds
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Aromatic homomonocyclic compound
Carboximidic acid
Carboximidic acid derivative
Catechol
Hydrocarbon derivative
Monocyclic benzene moiety
Organic 1,3-dipolar compound
Organic nitrogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Propargyl-type 1,3-dipolar organic compound
logp
1.12
logs
-2.49
solubility
6.25e-01 g/l
logp
0.98
pka_strongest_acidic
4.17
pka_strongest_basic
6.16
iupac
N-[2-(3,4-dihydroxyphenyl)ethyl]ethanimidic acid
average_mass
195.2151
mono_mass
195.089543287
smiles
CC(O)=NCCC1=CC(O)=C(O)C=C1
formula
C10H13NO3
inchi
InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)
inchikey
OFSAJYZMIPNPHE-UHFFFAOYSA-N
polar_surface_area
73.05
refractivity
53.21
polarizability
20.52
rotatable_bond_count
3
acceptor_count
4
donor_count
3
physiological_charge
0
formal_charge
0
Specdb::CMs
9292
Specdb::CMs
47625
Specdb::CMs
162147
Specdb::MsMs
286510
Specdb::MsMs
286511
Specdb::MsMs
286512
Specdb::MsMs
325102
Specdb::MsMs
325103
Specdb::MsMs
325104
Specdb::MsMs
2742691
Specdb::MsMs
2742692
Specdb::MsMs
2742693
Specdb::MsMs
2940041
Specdb::MsMs
2940042
Specdb::MsMs
2940043
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823