CAS 6265-74-3 N-Hydroxyethylisonicotinamide (HCID 73327)

기본 정보

CAS: 6265-74-3
표준 SMILES: O=C(NCCO)c1ccncc1
InChIKey: QVPWDPDVDVVXIB-UHFFFAOYSA-N
분자식: C8H10N2O2
평균 분자량: 166.18 g/mol
단동위원소 질량: 166.07422757

이름 및 식별자

우선 이름: N-Hydroxyethylisonicotinamide
IUPAC: N-(2-hydroxyethyl)pyridine-4-carboxamide
현지명: N-(2-하이드록시에틸)이소니코틴아미드,99
영어명: N-(2-Hydroxyethyl)isonicotinamide, 99
분자식: C8H10N2O2
분자량: 166.18

이름 및 동의어

N-(2-Hydroxyethyl)isonicotinamide6265-74-34-Pyridinecarboxamide, N-(2-hydroxyethyl)-N-(2-Hydroxyethyl)-4-pyridinecarboxamideN-Hydroxyethylisonicotinamide923BQ8X2VH4-Pyridinecarboxamide, N-2-hydroxyethyl-EINECS 228-432-7NSC 33143NSC-33143DTXSID90641844-(2-HYDROXYETHYL)CARBAMOYLPYRIDINE

이름 더 보기

N-(2-하이드록시에틸)이소니코틴아미드,99Nicodil impurity 21Nicoerdil Impurity JNicorandil Impurity JNicorandil Impurity 31Nicorandil EP Impurity 5N-(2-Hydroxyethyl)isonicotinamide, 99n-(2-hydroxyethyl)-4-pyridinecarboxamid

ISONICOTINAMIDE, N-(2-HYDROXYETHYL)-RefChem:830139DTXCID6043460228-432-7InChI=1/C8H10N2O2/c11-6-5-10-8(12)7-1-3-9-4-2-7/h1-4,11H,5-6H2,(H,10,12N-(2-hydroxyethyl)pyridine-4-carboxamideMFCD00075311NSC33143

데이터베이스 식별자

CAS: 6265-74-3
PubChem CID: 73327
DTXSID: DTXSID9064184
ChEMBL: CHEMBL3264038
UNII: 923BQ8X2VH
EC Number: 228-432-7
Nikkaji: J211.497F

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 62.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 136 · 136-138 °C(lit.)
끓는 점: 220 °C · 220 °C(lit.)
밀도: 1.2265 · 1.2265 (rough estimate)
굴절률: 1.618 · 1.6180 (estimate)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 12.63 · 12.63±0.46(Predicted)
InChI: InChI=1S/C8H10N2O2/c11-6-5-10-8(12)7-1-3-9-4-2-7/h1-4,11H,5-6H2,(H,10,12)
InChIKey: QVPWDPDVDVVXIB-UHFFFAOYSA-N
SMILES: C1=NC=CC(C(NCCO)=O)=C1
EPA: N-(2-Hydroxyethyl)-4-pyridinecarboxamide (6265-74-3)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

화학 및 산업

용도 및 제조

General Manufacturing Information4-Pyridinecarboxamide, N-(2-hydroxyethyl)-: INACTIVE

상·하류 제품 정보

하류 제품

N-(2-hydroxyethyl)piperidine-4-carboxamide:hydrochloride

공급사49 곳

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Hebei shuoxi biotechnology co. LTD+8613081092107

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

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