HCID20071800

4-Methylbenzene-1-sulfonic acid; benzyl 4-aminobutanoate

benzyl 4-aminobutanoate;4-methylbenzenesulfonic acid

C18H23NO5S365.4 g/molCAS 26727-22-0

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IDENTITY

结构与身份

标准 SMILES: Cc1ccc(S(=O)(=O)O)cc1.NCCCC(=O)OCc1ccccc1
InChIKey: AVEADJJUOBFQIQ-UHFFFAOYSA-N
分子式: C18H23NO5S
平均分子量: 365.4 g/mol
单同位素质量: 365.12969401

COMPUTED

结构计算性质

已同步

极性表面积: 115 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 7
重原子: 25
形式电荷: 0
复杂度: 371

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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 37 条

4-methylbenzene-1-sulfonic acid; benzyl 4-aminobutanoateRefChem:525536965-199-726727-22-0Benzyl 4-aminobutanoate 4-methylbenzenesulfonateH-gamma-Abu-Obzl.TosOHH-|A-Abu-Obzl.TosOHMFCD03424226C18H23NO5Sbenzyl 4-aminobutanoate;4-methylbenzenesulfonic acidbenzyl 4-aminobutanoate para-toluene sulfonateH-gamma-Abu-OBzl p-tosylateH-GABA-OBzl . p-tosylateH-GABA-OBzl.TosOHgamma-Aminobutyric acid benzyl ester p-tosylateH-Abu-Obzl.TosOHH-?-Abu-Obzl.TosOHH--Abu-OBzl p-tosylateH-|_-Abu-Obzl.TosOHH-Abu(4)-OBzl.Tos-OH

REACTIONS