1-aminocyclopropane-1-carboxylic acid

• ChemBase编号: 1848
• 分子式: C4H7NO2
• 平均质量: 101.10388
• 单一同位素质量: 101.04767847
• SMILES: NC1(CC1)C(=O)O
• Canonical SMILES: OC(=O)C1(N)CC1
• InChI: InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
• InChIKey: PAJPWUMXBYXFCZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-aminocyclopropane-1-carboxylic acid
• IUPAC传统名: 1-aminocyclopropane-1-carboxylic acid; ACC
• 别名: 1-AMINOCYCLOPROPANE-1-1CARBOXYLIUC ACID; ACPC; 1-Aminocyclopropanecarboxylic acid; 1-Aminocyclopropane-1-carboxylic acid; 1-Aminocyclopropanecarboxylic Acid; 1-Amino-1-carboxycyclopropane; 1-Aminocyclopropane-1-carboxylate; ACC; NSC 98430; α-Aminocyclopropanecarboxylic Acid; 1-Aminocyclopropanecarboxylic Acid

登记号

• CAS号: 22059-21-8
• MDL号: MFCD00009944
• Beilstein号: 2076413
• PubChem SID: 46505058; 160965303; 24890826
• PubChem CID: 535
• CHEBI ID: 58360
• CHEMBL: 265325
• Chemspider ID: 520
• DrugBank ID: DB02085
• KEGG ID: C01234
• 维基百科标题: 1-Aminocyclopropane-1-carboxylic_acid

理论计算性质

JChem

• Acid pKa: 2.2009416
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -2.7160702
• LogD (pH = 7.4): -2.7203784
• Log P: -2.7160707
• 摩尔折射率: 23.2544 cm^3
• 极化性: 9.473591 Å^3
• 极化表面积: 63.32 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -3.05
• LOG S: 0.64
• 溶解度: 4.37e+02 g/l

分子性质

理化性质

• 溶解度: DMSO; Water
• 外观: White to Off-White Solid
• 熔点: 229-231 °C(lit.); 230-231°C; 246-250°C (dec.); 255-259°C (dec.)
• 疏水性(logP): -2.78 [TSAI,RS ET AL. (1991)]; -3.372

安全信息

• 保存条件: 0°C, Desiccate; -20°C Freezer
• 保存注意事项: IRRITANT; Irritant
• RTECS编号: GZ1110000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 相关基因信息: human ... NARG2(79664)mouse ... NARG2(93697)rat ... LOC686240(686240), NARG2(691379)

产品相关信息

• 纯度: ≥98% (TLC); ≥98.0% (NT); 95%; 95+%; 97%; 98%
• 杂质: ≤10% water
• Empirical Formula (Hill Notation): C4H7NO2

详细说明

MP Biomedicals - 05201195

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150348

Crystalline
Intermediate in the conversion of methionine to ethylene during the ripening in apples.

DrugBank - DB02085

Drug information: experimental

Apollo Scientific Ltd - OR0355T

An NMDA receptor agonist acting at the glycine site.

Sigma Aldrich - A3903

Biochem/physiol Actions
NMDA agonist acting at the glycine site
包装
1 g in glass bottle
100, 250 mg in glass bottle

Sigma Aldrich - 07626

Biochem/physiol Actions
NMDA agonist acting at the glycine site
Other Notes
Ethylene biosynthesis: Identification of 1-aminocylopropane-1-carboxylic acid as an intermediate in the conversion of methionine to ethylene1

Toronto Research Chemicals - A603550

1-Aminocyclopropane-1-carboxylic Acid is a plant growth regulator. It is an NMDA agonist acting at the glycine site.

参考文献

• D.O. Adams and S.F. Yang, Proc. Natl. Acad. Sci. , 76 : 170, (1979).
• McArtney, S., et al.: HortScience, 37, 662 (2002)
• Li, J., et al.: J. Plant Growth Regulation, 27, 283 (2002)
• Botton, A., et al.: Plant Physiology, 155, 185 (2002)