基本情報
- CAS
51977-17-4- 標準SMILES
CCOC(=O)Nc1cccc2c(NC(=O)OCC)cccc12- InChIKey
UBDCNFBBUHMLQO-UHFFFAOYSA-N- 分子式
- C16H18N2O4
- 平均分子量
- 302.32 g/mol
- 単同位体質量
- 302.12665706
名称と識別子
- 優先名称
- N,N'-(1,5-Naphthalenediyl)bis(ethyl carbamate)
- IUPAC
- ethyl N-[5-(ethoxycarbonylamino)naphthalen-1-yl]carbamate
名称と別名
N,N'-(1,5-NAPHTHALENEDIYL)BIS(ETHYL CARBAMATE)51977-17-4RefChem:821626666-475-7ethyl N-{5-[(ethoxycarbonyl)amino]naphthalen-1-yl}carbamateDiethyl naphthalene-1,5-diyldicarbamateSCHEMBL7916743UBDCNFBBUHMLQO-UHFFFAOYSA-NAKOS0243366781,5-bis(ethoxycarbonylamino)naphthalene
データベース識別子
- CAS
51977-17-4- PubChem CID
- 4108140
- EC Number
- 666-475-7
- Nikkaji
- J1.049.462A
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 76.7 Ų
- 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
- 6
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 352
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, 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%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
関連反応
1 件
化合物ノート
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