N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

HCID 20761785

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 356068-86-5
표준 SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C
InChIKey: BRZYBFNUINXZMJ-UHFFFAOYSA-N
분자식: C14H23N3O2
평균 분자량: 265.35 g/mol
단동위원소 질량: 265.17902698

이름 및 식별자

우선 이름: N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
IUPAC: N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
영어명: N-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
분자식: C14H23N3O2
분자량: 265.35

이름 및 동의어

356068-86-5N-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamideN-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide8TS2JL9Q75DTXSID406096721H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid N-(2-diethylaminoethyl)amideRefChem:161608DTXCID70560429807-829-4MFCD12913910

이름 더 보기

sunitinib PI-5Sunitinib Malate 2N-(2-(Diethylamino)Sunitinib Impurity 3Sunitinib Impurity 50Sunitinib EP Impurity-CN-[2-(Diethylamino)ethylSunitinib Aldehyde ImpurityN-[2-(Diethylamino)ethyl]-5-formyl-

Sunitinib Impurity DN-[2-(Diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide; 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide; 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid N-(2-diethylaminoethyl)amideUNII-8TS2JL9Q75SCHEMBL1044420BRZYBFNUINXZMJ-UHFFFAOYSA-NAKOS015896193N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-formyl-1H-pyrrole-3-carboxamideAC-8962

데이터베이스 식별자

CAS: 356068-86-5
PubChem CID: 20761785
DTXSID: DTXSID40609672
UNII: 8TS2JL9Q75
EC Number: 807-829-4
Nikkaji: J1.774.754A

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 19
형식 전하: 0
복잡도: 305

물리화학적 성질

녹는점: 145 · 145-148°C
끓는 점: 389.9 · 389.9±42.0 °C(Predicted)
밀도: 1.096 · 1.096
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 디클로로메탄 (약간 용해됨), 에틸아세테이트 (약간 용해됨), 메탄올 (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 15.07 · 15.07±0.50(Predicted)
색상: 회백색
InChI: InChI=1S/C14H23N3O2/c1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4/h9,16H,5-8H2,1-4H3,(H,15,19)
InChIKey: BRZYBFNUINXZMJ-UHFFFAOYSA-N
SMILES: N1C(C=O)=C(C)C(C(NCCN(CC)CC)=O)=C1C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (66.7%): 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 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

HS 번호: 2933998090

화학 및 산업

응용 분야

용도N-[2-(Diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide is used in the preparation of (pyrrolylmethylidene)indolinones as tyrosine kinase inhibitors.