基本情報
- 標準SMILES
C[N+](C)(C)CC(O)CC(=O)O.[Cl-]- InChIKey
JXXCENBLGFBQJM-UHFFFAOYSA-N- 分子式
- C7H16ClNO3
- 平均分子量
- 197.66 g/mol
- 単同位体質量
- 197.0818711
名称と識別子
- 優先名称
- Carnitine Chloride
- IUPAC
- (3-carboxy-2-hydroxypropyl)-trimethylazanium chloride
名称と別名
名称をさらに表示
データベース識別子
- CAS
461-05-2、461-06-3、56-99-5- PubChem CID
- 5970
- ChEMBL
CHEMBL1439419- EC Number
- 200-305-0、207-309-1
物性
構造計算による物性
- 極性表面積
- 57.5 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
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 139
実験および物理化学的性質
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 13.8% (8 of 58) of reports.
Warning
H315 (86.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (86.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (82.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 8 of 58 reports by companies.;There are 6 notifications provided by 50 of 58 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
Regulatory Information
Chemical: 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (.+-.)-
1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (86.2%);Eye Irrit. 2 (86.2%);STOT SE 3 (82.8%)
Not Classified
法規制情報
Regulatory Information
Chemical: 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (.+-.)-
1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
化学と産業
用途と製造
関連反応
関連ノート
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