Benzoic acid-d (CAS 406679-59-2)

物理状态 :

Solid

溶解度 :

Soluble in water (3.4 mg/ml at 25° C), DMSO (24 mg/ml at 25° C), ethanol (24 mg/ml at 25° C), acetone, and chloroform. (unlabeled)

保存 :

Store at room temperature

熔点 :

121-125° C (lit.)

沸点 :

249° C (lit.)

折射率 :

n²⁰_D 1.56 (Predicted) (unlabeled)

IC50 :

mouse: IC₅₀ = 200 nM; DAAO: IC₅₀ = 46.90 µM (human); DDO: IC₅₀ >10 mM (human); Serine racemase: IC₅₀ >10 mM (human) (unlabeled)

Ki 数据 :

DAAO: K_i= 7 µM (human); Solute carrier family 22 member 20: K_i= 13.8 µM (mouse); Solute carrier family 22 member 6: K_i= 251.19 µM (mouse) (unlabeled)

pK值 :

pK_a: 4.19 at 25 C (unlabeled)

德国水公害等级 :

3

RTECS :

DG0875000 (unlabeled)

PubChem CID :

Merck 索引 :

14: 1091 (unlabeled)

MDL 号码 :

MFCD00084122

EC号码 :

200-618-2 (unlabeled)

Beilstein 注册 :

636131 (unlabeled)

SMILES :

[2H]OC(=O)C1=CC=CC=C1