基本情報
- CAS
25672-97-3- 標準SMILES
NCc1ccccc1C(=O)O- InChIKey
CLTMYNWFSDZKKI-UHFFFAOYSA-N- 分子式
- C8H9NO2
- 平均分子量
- 151.16 g/mol
- 単同位体質量
- 151.06332853
名称と識別子
- 優先名称
- 2-Aminomethylbenzoic acid
- IUPAC
- 2-(aminomethyl)benzoic acid
- 現地名
- 2-(アミノメチル)安息香酸
- 英語名
- Benzoic acid, 2-(aminomethyl)- (9CI)
- 分子式
- C8H9NO2
- 分子量
- 151.16
名称と別名
2-Aminomethylbenzoic acido-aminomethylbenzoic acidRefChem:4595922-(aminomethyl)benzoic acid25672-97-32-Aminomethyl-benzoic acidMFCD06212682122342-54-5benzoic acid, 2-(aminomethyl)-, hydrochlorideCHEMBL535415Benzoic acid, (aminomethyl)-o-(Aminomethyl)benzoic acid
名称をさらに表示
2-(アミノメチル)安息香酸2-(アミノメチル)安息香酸 HYDROCHLORIDEbenzoic acid, 2-(aminomethyl)-Aminomethylbenzoic Acid Impurity 202-(aminomethyl)benzoic acid(SALTDATA: HCl)
NSC127011Benzoic acid, 2-(aminomethyl)- (9CI)Tranexamic Acid Impurity 62SCHEMBL136079SCHEMBL1805455CHEMBL1188167SCHEMBL15666463SCHEMBL27547427
データベース識別子
- CAS
25672-97-3- PubChem CID
- 277942
- DTXSID
DTXSID00948554- ChEMBL
CHEMBL1188167、CHEMBL535415- EC Number
- 685-757-0
- Nikkaji
- J36.206I
物性
構造計算による物性
- XLogP
- -1.3
- 極性表面積
- 63.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 147
物理化学的性質
- 融点
- 211 °C · 211 °C
- 沸点
- 310.7 · 310.7±17.0 °C(Predicted)
- 比重(密度)
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C, protect from light
- 酸解離定数(Pka)
- 3.36 · 3.36±0.36(Predicted)
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)
安全データ
- hs_code
- 2922498590
- hazard_class
- IRRITANT
化学と産業
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関連反応
4 件
化合物ノート
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