6‐アミノ‐2‐N‐BOC‐1,2,3,4‐テトラヒドロイソキノリン

6-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinoline

HCID 2756371

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 164148-92-9
標準SMILES: CC(C)(C)OC(=O)N1CCc2cc(N)ccc2C1
InChIKey: OLOIFCYZWOTWRO-UHFFFAOYSA-N
分子式: C14H20N2O2
平均分子量: 248.32 g/mol
単同位体質量: 248.15247788

名称と識別子

優先名称: 6-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinoline
IUPAC: tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
現地名: 6‐アミノ‐2‐N‐BOC‐1,2,3,4‐テトラヒドロイソキノリン
英語名: 6-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinoline
分子式: C14H20N2O2
分子量: 248.32

名称と別名

6-amino-2-n-boc-1,2,3,4-tetrahydro-isoquinolineRefChem:540174672-211-1164148-92-9tert-butyl 6-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate6-Amino-2-N-BOC-1,2,3,4-tetrahydroisoquinolinetert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate2-Boc-6-Amino-1,2,3,4-tetrahydroisoquinolineMFCD03426351tert-butyl 6-amino-1,2,3,4-tetrahydroisoquinoline-2-carboxylate2(1H)-ISOQUINOLINECARBOXYLIC ACID, 6-AMINO-3,4-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER6-Amino-2-Boc-1,2,3,4-tetrahydroisoquinoline

名称をさらに表示

6‐アミノ‐2‐N‐BOC‐1,2,3,4‐テトラヒドロイソキノリン6-アミノ-2-Ｎ-Boc-1,2,3,4-テトラヒドロイソキノリン6-AMINO-2-BOC-3,4-DIHYDRO-1H-ISOQUINOLINE6-Amino-2-Boc-1,2,3,4-tetrahydro-isoquinoline6-Amino-2-N-Boc-1,2,3,4-tetrahydroisoquinoline, >=98%REF DUPL: 6-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinoline

6-amino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl esterSCHEMBL61143SCHEMBL29377835DTXSID20373344OLOIFCYZWOTWRO-UHFFFAOYSA-NCS-M00252-Boc-6-Amino-1,2,3,4-tetrSBB100449

データベース識別子

CAS: 164148-92-9
PubChem CID: 2756371
DTXSID: DTXSID20373344
EC Number: 672-211-1

物性

構造計算による物性

XLogP: 2
極性表面積: 55.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 311

物理化学的性質

沸点: 394.7 · 394.7±42.0 °C(Predicted)
比重(密度): 1.145 · 1.145±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 4.35 · 4.35±0.20(Predicted)
InChI: InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
InChIKey: OLOIFCYZWOTWRO-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(N)C=C2)CCN1C(OC(C)(C)C)=O
CAS データベース: 164148 · 164148-92-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

安全データ

ridadr: UN2811
hs_code: 2922390090
risk_code: 36/37/38-50-22
hazard_code: Xn,N
safety_code: 26-36/37/39-61

化学と産業

サプライヤー100 社

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

化合物ノート

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