基本情報
- CAS
91271-83-9- 標準SMILES
NCc1cccc(CN2CCOCC2)c1- InChIKey
JCIFAZAIURDZQN-UHFFFAOYSA-N- 分子式
- C12H18N2O
- 平均分子量
- 206.28 g/mol
- 単同位体質量
- 206.1419132
名称と識別子
- 優先名称
- 3-Morpholin-4-ylmethyl-benzylamine
- IUPAC
- [3-(morpholin-4-ylmethyl)phenyl]methanamine
- 英語名
- 3-Morpholin-4-ylmethyl-benzylamine
- 分子式
- C12H18N2O
- 分子量
- 206.28
名称と別名
91271-83-93-Morpholin-4-ylmethyl-benzylamineDTXSID40424408RefChem:281235DTXCID20375242(3-(Morpholinomethyl)phenyl)methanamine[3-(morpholin-4-ylmethyl)phenyl]methanamine[3-(morpholinomethyl)phenyl]methylamineMFCD066577771-[3-(Morpholin-4-ylmethyl)phenyl]methanamine3-Morpholin-4-ylmethylbenzylamine1-{3-[(morpholin-4-yl)methyl]phenyl}methanamine
名称をさらに表示
TIMTEC-BB SBB0111563-Morpholin-4-ylmethylbenzylamine95%3-MORPHOLIN-4-YLMETHYLBENZYLAMINE 95%Benzenemethanamine, 3-(4-morpholinylmethyl)-
[3-(Morpholinomethyl)phenyl]methanamineCHEMBL4570509{3-[(morpholin-4-yl)methyl]phenyl}methanamine[3-(morpholin-4-ylmethyl)phenyl]methylamineSCHEMBL1103883-(Morpholinomethyl)benzylamineorb3030968SCHEMBL29350303
データベース識別子
- CAS
91271-83-9- PubChem CID
- 6484182
- DTXSID
DTXSID40424408- ChEMBL
CHEMBL4570509- EC Number
- 987-889-7
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 38.5 Ų
- 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
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 180
物理化学的性質
- 沸点
- 323.2 · 323.2±32.0 °C(Predicted)
- 比重(密度)
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 9.08 · 9.08±0.10(Predicted)
安全と法規制
GHS分類
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesSkin Corr. 1B (100%)；STOT SE 3 (100%)
安全データ
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
化学と産業
上流・下流製品情報
上流原料
サプライヤー19 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海智乾生物科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
関連反応
4 件
化合物ノート
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