1-(4-aminobutyl)guanidine; sulfuric acid

• ChemBase编号: 84913
• 分子式: C5H16N4O4S
• 平均质量: 228.26994
• 单一同位素质量: 228.08922601
• SMILES: S(=O)(=O)(O)O.N=C(NCCCCN)N
• Canonical SMILES: OS(=O)(=O)O.NCCCCNC(=N)N
• InChI: InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)
• InChIKey: PTAYFGHRDOMJGC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-aminobutyl)guanidine; sulfuric acid
• IUPAC传统名: agmatine; sulfuric acid
• 别名: AGMATINE SULFATE; 1-Amino-4-guanidinobutane sulfate salt; 4-Guanidinobutylamine sulfate salt; N-(4-Aminobutyl)guanidine sulfate salt; Agmatine sulfate salt; N-(4-aminobutyl)guanidine sulphate

登记号

• CAS号: 2482-00-0
• EC号: 219-617-3
• MDL号: MFCD00013109
• Beilstein号: 3918807
• PubChem SID: 24277749; 162072029
• PubChem CID: 2794990

理论计算性质

• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -6.6034675
• LogD (pH = 7.4): -5.886967
• Log P: -1.1788911
• 摩尔折射率: 48.0932 cm^3
• 极化性: 14.466821 Å^3
• 极化表面积: 87.92 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: ethanol: insoluble; H2O: soluble50 mg/mL
• 外观: white to off-white powder
• 熔点: 234-238 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... ADRA2A(150), ADRA2B(151), ADRA2C(152), GRIN1(2902), GRIN2A(2903), GRIN2B(2904), GRIN2C(2905), GRIN2D(2906), GRINA(2907)

产品相关信息

• 纯度: ≥97%; 97%
• 线性分子式: H2N(CH2)4NHC(=NH)NH2·H2SO4

详细说明

MP Biomedicals - 05222845

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A7127

Biochem/physiol Actions
Putative endogenous neurotransmitter at imidazoline receptors; displaces clonidine at α2-adrenergic and at imidazoline receptors; blocks NMDA-activated ion channels in hippocampal neurons.
包装
1, 5 g in glass bottle

Sigma Aldrich - 101443

Biochem/physiol Actions
Putative endogenous neurotransmitter at imidazoline receptors; displaces clonidine at α2-adrenergic and at imidazoline receptors; blocks NMDA-activated ion channels in hippocampal neurons.
包装
1, 5 g in glass bottle