CAS 1014644-95-1 (S)-4-(1-Boc-amino-ethyl)-benzoic acid (HCID 51358474)

基本情報

CAS: 1014644-95-1
標準SMILES: C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1
InChIKey: OKRPFRUXMOYTDV-VIFPVBQESA-N
分子式: C14H19NO4
平均分子量: 265.3 g/mol
単同位体質量: 265.13140809

名称と識別子

優先名称: (S)-4-(1-Boc-amino-ethyl)-benzoic acid
IUPAC: 4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
英語名: (S)-4-(1-Boc-amino-ethyl)-benzoic acid
分子式: C14H19NO4
分子量: 265.3

名称と別名

1014644-95-1(S)-4-(1-Boc-amino-ethyl)-benzoic acidMFCD11505981(S)-4-(1-((tert-butoxycarbonyl)amino)ethyl)benzoic acid4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid4-[(1S)-1-[[(1,1-Dimethylethoxy)Carbonyl]Amino]Ethyl]Benzoic Acid4-[(1S)-1-(tert-butoxycarbonylamino)ethyl]benzoic acid4-[(1S)-1-[[(TERT-BUTOXY)CARBONYL]AMINO]ETHYL]BENZOIC ACID4-[(1S)-1-{[(tert-butoxy)carbonyl]amino}ethyl]benzoic acid(S)-4-(1-Boc-amino-ethyl)benzoic AcidSCHEMBL4095177CHEMBL4999893

名称をさらに表示

4-[(1S)-1-(BOC-AMINO)ETHYL]BENZOIC ACID(S)-4-(1-(tert-butoxycarbonyl)ethyl)benzoic acid4-[(1S)-1-N-tert-Butoxycarbonylaminoethyl]benzoic acid(1S)-4-[1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-benzoic acidBenzoic acid, 4-[(1S)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-

OKRPFRUXMOYTDV-VIFPVBQESA-NAKOS015916764SY263244(S)-4-[1-(Boc-amino)ethyl]benzoic Acid4-[(S)-1-(Boc-amino)ethyl]benzoic acidDB-316018F53313EN300-1589794

データベース識別子

CAS: 1014644-95-1
PubChem CID: 51358474
ChEMBL: CHEMBL4999893
EC Number: 808-823-4

物性

構造計算による物性

XLogP: 2.4
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 19
形式電荷: 0
複雑度: 327

物理化学的性質

比重(密度): 1.151 · 1.151
貯蔵温度: Store at room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 CategoriesSkin Sens. 1 (97.4%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H317

化学と産業

サプライヤー20 社

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]

Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]

杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]

苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]

上海敏寒医药科技有限公司17612188245 · [email protected]

化合物ノート

読み込み中…