2-Piperidineacetic acid, alpha-phenyl-, hydrochloride (1:1)
기본 정보
- CAS
19395-40-5- 표준 SMILES
Cl.O=C(O)C(c1ccccc1)C1CCCCN1- InChIKey
SCUMDQFFZZGUQY-UHFFFAOYSA-N- 분자식
- C13H18ClNO2
- 평균 분자량
- 255.74 g/mol
- 단동위원소 질량
- 255.1026065
이름 및 식별자
- 우선 이름
- 2-Piperidineacetic acid, alpha-phenyl-, hydrochloride (1:1)
- IUPAC
- 2-phenyl-2-piperidin-2-ylacetic acid;hydrochloride
- 영어명
- alpha-Phenyl-2-piperidineacetic acid hydrochloride
- 분자식
- C13H17NO2.HCl
- 분자량
- 255.74052
이름 및 동의어
19395-40-5RefChem:4782762-Piperidineacetic acid, alpha-phenyl-, hydrochloride (1:1)2-Phenyl-2-(piperidin-2-yl)acetic acid hydrochlorideMethylphenidate Carboxylic Acid2-phenyl-2-piperidin-2-ylacetic acid;hydrochlorideDL-erythro Ritalinic Acid Hydrochloride19130-92-8Ritalinic acid.HClMethylphenidate Carboxylic Acid Hydrochloridealpha-Phenyl-2-piperidineacetic acid hydrochlorideMFCD16294270
이름 더 보기
Ritalin Impurity 22-Phenyl-2-(piperidin-2-yl)Ritalinic acid hydrochloride solutionMethylphenidate hydrochloride Related compound AMethylphenidate Related Compound A as Hydrochloride
Methylphenidate Carboxylic Acid Hydrochloride (1.0mg/ml in Acetonitrile)Ritalinic Acid Hydrochloride; Methylphenidate Related Compound A (USP); Methylphenidate Related Compound A as HydrochlorideSCHEMBL2988020SCUMDQFFZZGUQY-UHFFFAOYSA-NAKOS022183002Ritalinic Acid (hydrochloride) (CRM)CS-0449500H55468
데이터베이스 식별자
- CAS
19395-40-5- PubChem CID
- 68467674
- EC Number
- 111-022-6
물성
구조 계산 물성
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 236
물리화학적 성질
- 녹는점
- 248 ℃ · 248℃
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- liquid
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H
- InChIKey
- SCUMDQFFZZGUQY-UHFFFAOYSA-N
- SMILES
- Cl.N1C(CCCC1)C(c2ccccc2)C(=O)O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
일반 설명Ritalinic acid is a primary blood metabolite of methylphenidate, a psychostimulant sold under trade names Concerta and Ritalin. This Certified Snap-N-Spike Solution is applicable for use in LC/MS or GC/MS applications for urine drug testing, clinical toxicology, and forensic analysis. Methylphenidate is prescribed for treatment of attention-deficit hyperactivity disorder (ADHD), tachycardia, and narcolepsy.
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