데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
387350-41-6- 표준 SMILES
O=C(O)c1ccc(CCN2CCCC2)nc1- InChIKey
JNYWIOXOYFVKQG-UHFFFAOYSA-N- 분자식
- C12H16N2O2
- 평균 분자량
- 220.27 g/mol
- 단동위원소 질량
- 220.12117776
이름 및 식별자
- 우선 이름
- 6-(2-(Pyrrolidin-1-yl)ethyl)nicotinic acid
- IUPAC
- 6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
- 현지명
- 6-(2-PYRROLIDIN-1-YLETHYL)니코틴산
- 영어명
- 6-(2-Pyrrolidin-1-ylethyl)nicotinicacid
- 분자식
- C12H16N2O2
- 분자량
- 220.27
이름 및 동의어
6-(2-(Pyrrolidin-1-yl)ethyl)nicotinic acid6-[2-(Pyrrolidin-1-yl)ethyl]nicotinic acidRefChem:539161674-433-4387350-41-66-[2-(pyrrolidin-1-yl)ethyl]pyridine-3-carboxylic acid6-(2-Pyrrolidin-1-ylethyl)nicotinic acid6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid6-(2-PYRROLIDIN-1-YLETHYL)NICOTINICACIDMFCD013193526-[2-(1-Pyrrolidinyl)ethyl]nicotinic Acid2-[2-(pyrrolidin-1-yl)ethyl]pyridine-5-carboxylic acid
이름 더 보기
6-(2-PYRROLIDIN-1-YLETHYL)니코틴산6-(2-PYRROLIDIN-1-YLETHYL)NICOTINIC ACID, 95+%6-[2-(Pyrrolidin-1-yl)ethyl]nicotinic acid 95%6-[2-(1-pyrrolidinyl)ethyl]-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 6-[2-(1-pyrrolidinyl)ethyl]-6-[2-(Pyrrolidin-1-yl)ethyl]pyridine-3-carboxylic acid, 5-Carboxy-2-[2-(pyrrolidin-1-yl)ethyl]pyridine
Peakdale1_000875SCHEMBL63765CHEMBL5483676HMS520H17DTXSID40371948JNYWIOXOYFVKQG-UHFFFAOYSA-NSBB053036AKOS005145673
데이터베이스 식별자
- CAS
387350-41-6- PubChem CID
- 2737255
- DTXSID
DTXSID40371948- ChEMBL
CHEMBL5483676- EC Number
- 674-433-4
물성
구조 계산 물성보충 중
- XLogP
- -1.1
- 극성 표면적
- 53.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 239
물리화학적 성질
- 녹는점
- 198 · 198-205°C
- 끓는 점
- 372.5 · 372.5±32.0 °C(Predicted)
- 밀도
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 2.22 · 2.22±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- Yellow/light brown
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933399990
화학 및 산업
공급사23 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
관련 반응
2건
화합물 노트
불러오는 중…