Caffeine-d9 (CAS 72238-85-8)

物理状态 :

Solid

溶解度 :

Soluble in chloroform, water (100 mM, unlabeled), ethanol (~15 mg/ml, unlabeled), DMF (~10 mg/ml, unlabeled), and DMSO (~3 mg/ml, unlabeled).

保存 :

Store at -20° C

熔点 :

237-239° C

沸点 :

416.79° C at 760 mmHg (Predicted)

密度 :

1.52 g/cm³ (Predicted)

折射率 :

n²⁰_D 1.68 (Predicted)

IC50 :

Central adenosine receptor activity: IC₅₀ = ~30 µM (unlabeled)

pK值 :

pK_a: 14.0 at 25 C(unlabeled)

德国水公害等级 :

1 (unlabeled)

RTECS :

EV6475000 (unlabeled)

PubChem CID :

Merck 索引 :

14: 1636 (unlabeled)

MDL 号码 :

MFCD06658615

EC号码 :

200-362-1 (unlabeled)

Beilstein 注册 :

17705 (unlabeled)

SMILES :

[2H]C([2H])([2H])N1C=NC2=C1C(=O)N(C(=O)N2C([2H])([2H])[2H])C([2H])([2H])[2H]