Ethyl 2-(diphenylmethyleneamino)acetate

HCID 319508CAS 69555-14-2

기본 정보

표준 SMILES: CCOC(=O)CN=C(c1ccccc1)c1ccccc1
InChIKey: QUGJYNGNUBHTNS-UHFFFAOYSA-N
분자식: C17H17NO2
평균 분자량: 267.32 g/mol
단동위원소 질량: 267.12592878

이름 및 식별자

우선 이름: Ethyl 2-(diphenylmethyleneamino)acetate
IUPAC: ethyl 2-(benzhydrylideneamino)acetate
영어명: Ethyl N-(diphenylmethylene)glycinate
분자식: C17H17NO2
분자량: 267.32

이름 및 동의어

ethyl 2-(diphenylmethyleneamino)acetateNSC 263808EC 614-987-6RefChem:593991614-987-669555-14-2N-(Diphenylmethylene)glycine ethyl esterEthyl N-(diphenylmethylene)glycinateEthyl 2-((diphenylmethylene)amino)acetateethyl 2-(benzhydrylideneamino)acetatediphenylmethylene-glycine ethyl esterMFCD00010590

이름 더 보기

ETHYL (DIPHENYLMETHYLENAMINO)ACETATE(N,N-DIPHENYLMETHYLENE)GLYCINE ETHYL ESTERDPM-Gly-OetN-(DiphenyLAURORA KA-6707Ethyl N-(diphenylmetN-Benzhydrylideneglycine ethyl

ethyl 2-[(diphenylmethylidene)amino]acetateEthyl [(diphenylmethylene)amino]acetateethyl N-(diphenylmethylidene)glycinate(N,N-diphenylmethylgene)glycine ethyl esterGlycine, N-(diphenylmethylene)-, ethyl esterdiphenylmethylene glycine ethyl esterN-(diphenylmethylene) glycine ethyl esterTimTec1_000215

데이터베이스 식별자

CAS: 69555-14-2
PubChem CID: 319508
DTXSID: DTXSID10312883
EC Number: 614-987-6
Nikkaji: J236.350J

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 20
형식 전하: 0
복잡도: 306

물리화학적 성질

녹는점: 51 · 51-53 °C(lit.)
끓는 점: 195 °C/2mmHg · 195°C/2mmHg(lit.)
밀도: 1.069 · 1.0690 (rough estimate)
굴절률: 1.54 · 1.5400 (estimate)
인화점: 110 °C · >110°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.22 · 2.22±0.50(Predicted)
물리적 상태: 결정질 분말 또는 결정
색상: 흰색에서 밝은 노란색
BRN: 1979922 · 1979922
안정성: 수분에 민감한
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKey: QUGJYNGNUBHTNS-UHFFFAOYSA-N
SMILES: CCOC(=O)C\N=C(/c1ccccc1)c2ccccc2
LogP: 1.35 · 1.35-3.18 at 25℃ and pH0-14

화학적 성질

white to light yellow crystalline powder or

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 90.5% (38 of 42) of all reports.

Not Classified

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 01-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/5772

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
HS 번호: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37-26
F 고인화성물질: 10-21
Hazard Classifications: Carc. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도N-(Diphenylmethylene)glycine Ethyl Ester is used as a reagent in the synthesis of pyrazolopyrrolyl tetrahydropyran DPP-4 inhibitors.

상·하류 제품 정보

상류 원료

하류 제품

DL-노르류신 Ethyl benzoylglycinate Leucine, N-(diphenylMethylene)-4-fluoro-, ethyl ester 2-[(디페닐메틸렌)아미노]-4-메틸-4-펜텐산에틸에스테르 4-Piperidinepropanoic acid, α-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

연결된 노트

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