基本情報
- 標準SMILES
COC(=O)C1CCC(CN)CC1.Cl- InChIKey
PZPSRTWFJCGJLP-UHFFFAOYSA-N- 分子式
- C9H18ClNO2
- 平均分子量
- 207.7 g/mol
- 単同位体質量
- 207.1026065
名称と識別子
- 優先名称
- Methyl trans-4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride
- IUPAC
- methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
名称と別名
29275-88-554640-02-7Methyl trans-4-(Aminomethyl)cyclohexanecarboxylate HydrochlorideMethyl 4-(Aminomethyl)cyclohexanecarboxylate HydrochlorideMethyl trans-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloridemethyl 4-(aminomethyl)cyclohexane-1-carboxylate hydrochlorideMFCD03093748trans-Methyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride916211-57-9MFCD00797465cis-Methyl 4-(aminomethyl)cyclohexanecarboxylate hydrochlorideTRANS-METHYL 4-AMINOMETHYL-CYCLOHEXANECARBOXYLATE HCL
名称をさらに表示
methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochlorideCyclohexanecarboxylic acid, 4-(aminomethyl)-, methyl ester, hydrochloride (1:1), trans-methyl 4-(aminomethyl)cyclohexanecarboxylate;hydrochlorideMethyl-(4-aminomethyl)cyclohexane carboxylate hydrochloride salttrans-4-Aminomethyl-cyclohexanecarboxylic acid methyl ester hydrochloridetranexamic acid methyl ester hydrochloridetrans-4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester HydrochlorideMethyl trans-4-aminomethylcycloheanecarboxylate HCl
データベース識別子
- PubChem CID
- 12721445
物性
構造計算による物性
- 極性表面積
- 52.3 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
- 3
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 151
関連反応
3 件
化合物ノート
読み込み中…