基本情報
- CAS
937737-33-2- 標準SMILES
CNc1ccc(C(=O)O)cc1- InChIKey
ZVIDMSBTYRSMAR-UHFFFAOYSA-N- 分子式
- C8H9NO2
- 平均分子量
- 151.16 g/mol
概要
N-Methyl-4-aminobenzoate is an aminobenzoic acid.
名称と識別子
- 優先名称
- 4-(Methylamino)benzoic acid
- IUPAC
- 4-(methylamino)benzoic acid
- 英語名
- Benzoic acid, 4-(methylamino)-, labeled with deuterium (9CI)
- 分子式
- C8H9NO2
- 分子量
- 0
名称と別名
4-(Methylamino)benzoic acid10541-83-0Benzoic acid, 4-(methylamino)-4-Methylaminobenzoic acidN-Methyl-4-aminobenzoic acid4-(N-Methylamino)benzoic acidp-Methylaminobenzoic acidBenzoic acid, p-(methylamino)-ARU98Z0OZYNSC-102506DTXSID8065117RefChem:516328
名称をさらに表示
Benzoic acid, 4-(methylamino)-, labeled with deuterium (9CI)
DTXCID4032956234-121-7N-Methyl-4-aminobenzoatep-(Methylamino)benzoic acidMFCD00002535p-Carboxy-N-methylanilinep-(N-Methylamino)benzoic acid4-Methylamino-benzoic acid
データベース識別子
- CAS
937737-33-2- ChEMBL
CHEMBL3098156- ChEBI
CHEBI:7308- UNII
- ARU98Z0OZY
- EC Number
- 234-121-7
- Nikkaji
- J139.221B
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 49.3 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
- 139
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
安全と法規制
GHS分類
GHS Classification
Warning
H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationStatus: Active Update: 21-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24568
Hazards SummaryAn eye irritant; May cause skin sensitization; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (10541-83-0[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See p-Aminosalicylic acid.
Hazard Classes and CategoriesAcute Tox. 4 (89.8%)
化学と産業
用途と製造
General Manufacturing InformationBenzoic acid, 4-(methylamino)-: INACTIVE
サプライヤー1 社
CHEMSTEP[email protected]
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