データを補完しています。通常は 1 分以内に完了します
基本情報
- CAS
4271-30-1- 標準SMILES
Nc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1- InChIKey
GADGMZDHLQLZRI-VIFPVBQESA-N- 分子式
- C12H14N2O5
- 平均分子量
- 266.25 g/mol
- 単同位体質量
- 266.09027155
名称と識別子
- 優先名称
- N-(4-Aminobenzoyl)-L-glutamic acid
- IUPAC
- (2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid
名称と別名
名称をさらに表示
データベース識別子
- CAS
4271-30-1- PubChem CID
- 196473
- DTXSID
DTXSID10873641- ChEMBL
CHEMBL3278332- ChEBI
CHEBI:61114- UNII
- 9BKY99A8HJ
- EC Number
- 224-261-7
- Nikkaji
- J15.173D
物性
構造計算による物性補完中
- XLogP
- 0
- 極性表面積
- 130 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 350
安全と法規制
GHS分類
GHS Classification
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (33.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 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.
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法規制情報
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