N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide

HCID 736837CAS 86847-64-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)C(=O)Nc1ncccc1C=O
InChIKey
ANABHCSYKASRRW-UHFFFAOYSA-N
분자식
C11H14N2O2
평균 분자량
206.24 g/mol
단동위원소 질량
206.10552769

이름 및 식별자

우선 이름
N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide
IUPAC
N-(3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
영어명
N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide
분자식
C11H14N2O2
분자량
206.24

이름 및 동의어

N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamideRefChem:826591625-350-786847-64-5N-(3-formylpyridin-2-yl)pivalamideN-(3-formylpyridin-2-yl)-2,2-dimethylpropanamideN-(3-Formyl-pyridin-2-yl)-2,2-dimethyl-propionamideMFCD018301702-PIVALYLAMINO-PYRIDINE-3-CARBOXYALDEHYDEN-(3-formyl(2-pyridyl))-2,2-dimethylpropanamideSCHEMBL1375331DTXSID30353117
이름 더 보기
N-(3-Formyl-2-pyridinyl)pivalamideN-(3-FORMYL-2-PYRIDINYL)-2,2-DIMETHYLPR&N-(3-Formyl-2-pyridinyl)- tert-butanamide2-[(2,2-Dimethylpropanoyl)amino]nicotinaldehyden-(3-eormylpyridin-2-yl)-2,2-dimethylpropionamide
ANABHCSYKASRRW-UHFFFAOYSA-N3-formyl-2-(pivaloylamino)pyridineCS-M0436SBB093685AKOS000320285AB09960AS-35624BP-10381

데이터베이스 식별자

CAS
86847-64-5
PubChem CID
736837
DTXSID
DTXSID30353117
EC Number
625-350-7
Nikkaji
J329.300I

물성

구조 계산 물성

XLogP
1.8
극성 표면적
59.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
15

물리화학적 성질

녹는점
85 · 85-88°C
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태
solid
InChI
1S/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)
InChIKey
ANABHCSYKASRRW-UHFFFAOYSA-N
SMILES
CC(C)(C)C(=O)Nc1ncccc1C=O

화학적 성질

White to yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (88.6%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk
3
HS 번호
29333990
risk_code
36/37/38-43
hazard_code
Xi
safety_code
26-36/37
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도Reactant for:• ;Preparation of disubstituted azaindolines1

상·하류 제품 정보

공급사50 곳

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
安特希（苏州）生物科技有限公司19951207836
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

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30건
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N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide (HCID 736837)｜Huagongshe