N-(6-Chloropyridin-2-yl)-2,2-dimethylpropanamide

HCID 13154248

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 86847-84-9
표준 SMILES: CC(C)(C)C(=O)Nc1cccc(Cl)n1
InChIKey: YPWKLBCTOUEZKE-UHFFFAOYSA-N
분자식: C10H13ClN2O
평균 분자량: 212.67 g/mol
단동위원소 질량: 212.07164072

이름 및 식별자

우선 이름: N-(6-Chloropyridin-2-yl)-2,2-dimethylpropanamide
IUPAC: N-(6-chloro-2-pyridinyl)-2,2-dimethylpropanamide
영어명: N-(6-Chloro-pyridin-2-yl)-2,2-dimethyl-propionamide
분자식: C10H13ClN2O
분자량: 212.68

이름 및 동의어

86847-84-9N-(6-chloropyridin-2-yl)-2,2-dimethylpropanamideDTXSID40522670RefChem:362456DTXCID40473476896-665-7N-(6-Chloropyridin-2-yl)pivalamideN-(6-Chloro-pyridin-2-yl)-2,2-dimethyl-propionamideMFCD07366729Propanamide, N-(6-chloro-2-pyridinyl)-2,2-dimethyl-N-(6-CHLOROPYRIDIN-2-YL)-2,2-DIMETHYLPROPIONAMIDEN-(6-chloro-2-pyridyl)-2,2-dimethyl-propanamide

이름 더 보기

N-(6-chloro-2-pyridinyl)-2,2-dimethylpropanamideN-(6-CHLORO-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE ISO 9001：2015 REACH

SCHEMBL247331SCHEMBL31038670YPWKLBCTOUEZKE-UHFFFAOYSA-N6-Chloro-2-(pivaloylamino)pyridineAKOS015851065AB31092CS-W000570DS-2318

데이터베이스 식별자

CAS: 86847-84-9
PubChem CID: 13154248
DTXSID: DTXSID40522670
EC Number: 896-665-7

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 42 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 213

물리화학적 성질

녹는점: 86 · 86-87 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
끓는 점: 375.4 · 375.4±27.0 °C(Predicted)
밀도: 1.199 · 1.199±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 13.15 · 13.15±0.70(Predicted)
InChI: 1S/C10H13ClN2O/c1-10(2,3)9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey: YPWKLBCTOUEZKE-UHFFFAOYSA-N
SMILES: CC(C)(C)C(=O)Nc1cccc(Cl)n1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.