HCID5970

Carnitine Chloride

(3-carboxy-2-hydroxypropyl)-trimethylazanium chloride

C7H16ClNO3197.66 g/molCAS 461-05-2

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准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
单同位素质量: 197.0818711

COMPUTED

结构计算性质

已同步

极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 4
重原子: 12
形式电荷: 0
复杂度: 139

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

>29.6 [ug/mL] (The mean of the results at pH 7.4)

Collision Cross Section

132.9 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS

GHS分类

来源：PubChem

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.

HAZARDS

危害信息

来源：PubChem

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

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Chemical: 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (.+-.)-

USES

用途与制造

来源：PubChem

General Manufacturing Information

1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1): ACTIVE

ALIASES

名称与别名

共 94 条

DL-Carnitine hydrochloride461-05-2Carnitine chlorideMonocamind,l-Carnitine hydrochlorideCarnitine chloride [JAN]1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chlorideEINECS 200-305-0EINECS 207-309-1Entomin (TN)Carnitine chloride (JAN)56-99-5EntominF64264D63NAMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, CHLORIDE1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)DTXCID6025850CARNITINE HYDROCHLORIDE [WHO-DD]CARNITINE HYDROCHLORIDE [MI]Carnitine DL-HCl

REACTIONS