기본 정보
- 표준 SMILES
Cl.O=C(O)CN1CCCC1- InChIKey
HIGULTVOVROJID-UHFFFAOYSA-N- 분자식
- C6H12ClNO2
- 평균 분자량
- 165.62 g/mol
- 단동위원소 질량
- 165.0556563
이름 및 식별자
- 우선 이름
- 2-(Pyrrolidin-1-yl)acetic acid hydrochloride
- IUPAC
- 2-pyrrolidin-1-ylacetic acid;hydrochloride
- 현지명
- 2-피롤리딘-1-일아세트산
- 영어명
- 2-pyrrolidin-1-ylacetic acid
- 분자식
- C6H12ClNO2
- 분자량
- 165.62
이름 및 동의어
2-(Pyrrolidin-1-Yl)Acetic Acid HydrochlorideRefChem:462186811-498-16628-74-6Pyrrolidin-1-yl-acetic acid hydrochloridepyrrolidin-1-ylacetic acid hydrochloride(pyrrolidin-1-yl)acetic acid hydrochloride2-pyrrolidin-1-ylacetic acidMFCD068012742-pyrrolidin-1-ylacetic acid;hydrochlorideNSC108221NSC-108221
이름 더 보기
2-피롤리딘-1-일아세트산2-(Pyrrolidin-1-yl)Eravacycline intermediate E1-Pyrrolidineacetic acid(HCl)Pyrrolidin-1-yl-acetic acid, HClCinepazide Impurity 20 Hydrochloride2- (1-pyrrolidinyl) acetic acid (HCl)(4,5-diphenyl-1,3-oxazol-2-yl)hydrazineEravacycline Impurity 22(Hydrochloride)
EN300-41375F21166Pyrrolidin-1-yl-acetic acid hydrochloride, AldrichCPR1-Pyrrolidineacetic acid, hydrochloride2-(pyrrolidin-1-yl)acetic acid HCl2-(pyrrolidin-1-yl)aceticacidhydrochlorideSCHEMBL1375922DTXSID40515421
데이터베이스 식별자
- CAS
6628-74-6- PubChem CID
- 13022016
- DTXSID
DTXSID40515421- EC Number
- 811-498-1
물성
구조 계산 물성
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 108
물리화학적 성질
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- solid
- InChI
- InChI=1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H
- InChIKey
- HIGULTVOVROJID-UHFFFAOYSA-N
- SMILES
- C(N1CCCC1)C(=O)O.Cl
화학적 성질
White crystal
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- risk_code
- 41-36/37/38
- safety_code
- 39-45-36/37/39-26-22-3/7
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Dam. 1
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
공급사50 곳
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