2-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylate

HCID 100621

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 38428-14-7
표준 SMILES: CC(C)COC(=O)N1c2ccccc2C=CC1OCC(C)C
InChIKey: LPBHYOYZZIFCQT-UHFFFAOYSA-N
분자식: C18H25NO3
평균 분자량: 303.4 g/mol
단동위원소 질량: 303.18344366

이름 및 식별자

우선 이름: 2-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylate
IUPAC: 2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate
영어명: Isobutyl 1,2-dihydro-2-isobutoxy-1-quinoline-carboxylate
분자식: C18H25NO3
분자량: 303.4

이름 및 동의어

38428-14-7IIDQDTXSID4011826191-(isobutoxycarbonyl)-2-isobutoxy-1,2-dihydroquinoline2-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylate1(2H)-Quinolinecarboxylic acid, 2-(2-methylpropoxy)-, 2-methylpropyl esterRefChem:476199DTXCID801613967253-925-9Isobutyl 2-isobutoxyquinoline-1(2H)-carboxylate1-Isobutoxycarbonyl-2-isobutoxy-1,2-dihydroquinolineisobutyl 1,2-dihydro-2-isobutoxy-1-quinoline-carboxylate

이름 더 보기

IIDQ,97%1-Isobutoxycarbonyl-LABOTEST-BB LT00440912iidq (2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroN-ISOBUTOXYCARBONYL-2-ISOBUTOXY-1,2 DIHYDROQUINONE

2-Isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinolineMFCD00006702IIDQ1-ISOBUTOXYCARBONYL-2-ISOBUTOXY-1,2-DIHYDROQUINOLINEIsobutyl 1,2-dihydro-2-isobutoxy-1-quinolinecarboxylateEINECS 253-925-92-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylateIsobutyl 2-isobutoxy-2H-quinoline-1-carboxylateAKOS016843096

데이터베이스 식별자

CAS: 38428-14-7
PubChem CID: 100621
DTXSID: DTXSID401182619
EC Number: 253-925-9
Nikkaji: J294.657B

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 38.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 22
형식 전하: 0
복잡도: 392

물리화학적 성질

끓는 점: 140 · 140-142 °C0.2 mm Hg(lit.)
밀도: 1.022 g/mL · 1.022 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.523(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.4 · -1.40±0.40(Predicted)
BRN: 1543065 · 1543065
주요 응용: 펩타이드 합성
InChI: InChI=1S/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3
InChIKey: LPBHYOYZZIFCQT-UHFFFAOYSA-N
SMILES: N1(C(OCC(C)C)=O)C2=C(C=CC=C2)C=CC1OCC(C)C

화학적 성질

CLEAR SLIGHTLY YELLOW VISCOUS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 2 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
HS 번호: 29334900
risk_code: 36/37/38-22-68-45
hazard_code: Xn,T
safety_code: 23-24/25-37/39-26-45-36/37-53
Hazard Classifications: Carc. 1BMuta. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects