1-Aminocyclopropane-1-carboxylic acid 分子结构式
HCID535

1-Aminocyclopropane-1-carboxylic acid

C4H7NO2101.1 g/molCAS 22059-21-8

IDENTITY

结构与身份

标准SMILES
NC1(C(=O)O)CC1
InChIKey
PAJPWUMXBYXFCZ-UHFFFAOYSA-N
分子式
C4H7NO2
平均分子量
101.1 g/mol
单同位素质量
101.04767847

COMPUTED

结构计算性质

已同步
XLogP
-2.8
极性表面积
63.3 Ų
氢键供体
2
氢键受体
3
可旋转键
1
重原子
7
形式电荷
0
复杂度
106

PROPERTIES

实验与物化性质

来源:PubChem
LogP

-2.78

-2.78

Melting Point

229 - 231 °C

Physical Description

Solid

Dissociation Constants

2.73

Collision Cross Section

135.6 Ų [M-H]-

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (97.7%)

PHARMACOLOGY

药理信息

来源:PubChem
MeSH Pharmacological Classification

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

Cellular Locations

Cytoplasm;Extracellular

ALIASES

名称与别名

共 112 条
1-Aminocyclopropanecarboxylic acid22059-21-81-Aminocyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 1-amino-alpha-Aminocyclopropane carboxylic acid1-aminocyclopropane-1-carboxylate1-Aminocyclopropane carboxylic acid3K9EJ633GLNSC-98430DTXSID9039577CHEBI:180531-azaniumylcyclopropane-1-carboxylateACC acidRefChem:429423DTXCID7019577606-917-8acpc1-Amino-1-cyclopropanecarboxylic acidMFCD000099441-Amino-1-carboxycyclopropane

REACTIONS

参与反应

87
HRID 74743 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08828401B2

查看
HRID 152463 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 163300 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 184075 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 211326 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 219599 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08202856B2

查看
HRID 246706 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08658646B2

查看
HRID 254043 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07871998B2

查看