基本情報
- CAS
625120-81-2- 標準SMILES
CCCCCN(C)CCC(=O)O.Cl- InChIKey
YDWXRULMHQZBEX-UHFFFAOYSA-N- 分子式
- C9H20ClNO2
- 平均分子量
- 209.71 g/mol
- 単同位体質量
- 209.1182566
名称と識別子
- 優先名称
- 3-(N-Methylpentylamino)propionic acid hydrochloride
- IUPAC
- 3-[methyl(pentyl)amino]propanoic acid;hydrochloride
- 現地名
- 3-(N-メチル-N-ペンチルアミノ)プロピオン酸塩酸塩
- 英語名
- 3-(N-Methylpentylamino)propionic acid hydrochloride
- 分子式
- C9H20ClNO2
- 分子量
- 209.71
名称と別名
名称をさらに表示
データベース識別子
- CAS
625120-81-2- PubChem CID
- 16726423
- DTXSID
DTXSID20587383- UNII
- E7FT72BUU1
- EC Number
- 613-046-7
物性
構造計算による物性
- 極性表面積
- 40.5 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
- 7
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 126
物理化学的性質
- 融点
- 101 · 101-103°C
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- メタノール(微量)、水(微量)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 安定性
- 吸湿性
- 主な用途
- 医薬品(低分子化合物)
- InChI
- 1S/C9H19NO2.ClH/c1-3-4-5-7-10(2)8-6-9(11)12;/h3-8H2,1-2H3,(H,11,12);1H
- InChIKey
- YDWXRULMHQZBEX-UHFFFAOYSA-N
- SMILES
- Cl.N(CCCCC)(CCC(=O)O)C
- CAS データベース
- 625120 · 625120-81-2(CAS DataBase Reference)
化学的性質
化学的特性White Solid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Danger
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (20%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H413 (20%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;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
安全データ
- wgk
- WGK 3
- hs_code
- 2922498050
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用3-(N-Methylpentylamino)propionic acid hydrochloride is an intermediate in the preparation of biphosphonate drugs used in the prevention and treatment of osteoporosis.
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