(±)-카르니틴 하이드로클로라이드

(±)-카르니틴하이드로클로라이드 · DL-카르니틴수화염화물 · DL-카르니타인 하이드로클로라이드 · DL-카르니틴염산염 · LEVOCARNITINE · L-CARNITINE HCL · DL-CARNITINE HCL · CARNITINE CHLORIDE

https://huagongshe.com/ko/chemical/5970

식별자 및 물리적 특성

CAS No.	461-05-2
분자식	C7H16ClNO3
평균 분자량	197.66 g/mol
단동위원소 질량	197.0818711 g/mol
SMILES	C[N+](C)(C)CC(O)CC(=O)O.[Cl-]
InChIKey	JXXCENBLGFBQJM-UHFFFAOYSA-N
PubChem CID	5970
ChEMBL	CHEMBL1439419
EC No.	200-305-0
현지명	(±)-카르니틴 하이드로클로라이드

화학 및 물리적 성질

극성 표면적	57.5
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	4
무거운 원자 수	12
형식 전하	0
복잡도	139
용해도	>29.6 [ug/mL] (The mean of the results at pH 7.4)수성 염기(약간 용해됨), 메탄올(약간 용해됨, 가열), 물(약간 용해됨, 초음파 처리)
Collision Cross Section	132.9 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
녹는점	197-199 °C
저장 조건	Store below +30°C.
물리적 상태	분말, 결정, 바늘 및/또는 덩어리
색상	흰색에서 거의 흰색
pH	1.8-2.5 (100g/l, H2O)
용해도	녹는
Merck	14,1849
BRN	4163212
안정성	흡습성
InChI	1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H31H
InChIKey	JXXCENBLGFBQJM-UHFFFAOYSA-N
SMILES	[Cl-].C[N+](C)(C)CC(O)CC(O)=O
EPA	1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) (461-05-2)

화학적 성질

Crystalline Solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 13.8% (8 of 58) of reports.WarningH315 (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 exposureRespiratory 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.
규제 정보	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
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	BP2979140
독성	LD50 subcutaneous in mouse: 6gm/kg
관세 코드	29239000
위험 문구(R)	36/37/38