Methyl 2-acetamidoacrylate (HCID 98644)

개요

modifies amino & sulfhydryl groups in amino acids & proteins; structure

이름 및 식별자

우선 이름: Methyl 2-acetamidoacrylate
IUPAC: methyl 2-acetamidoprop-2-enoate
영어명: Methyl 2-acetamidoacrylate
분자식: C6H9NO3
분자량: 143.14

이름 및 동의어

Methyl 2-acetamidoacrylate35356-70-8N-Acetyldehydroalanine methyl ester2-Propenoic acid, 2-(acetylamino)-, methyl esterGT3ARJ50FGNSC-156878DTXSID70188849RefChem:162701methyl-2-acetamidoacrylateDTXCID80111340methyl 2-acetamidoprop-2-enoate2-Acetamidoacrylic Acid Methyl Ester

이름 더 보기

ac-dl-dha-ome2-Acetamidomethyl acrylateMethyl 2-acetamidoacrylate 98%Methyl 2-Acetamidoacrylate >Methyl 2-acetamidoacrylate-99%Methyl 2-(acetylamino)propenoate

MFCD00013394Methyl 2-(acetylamino)acrylate2-acetylaminoacrylic acid methyl esterMETHYL2-ACETAMIDOACRYLATENSC 1568782-AcetamidomethacrylateUNII-GT3ARJ50FGmethyl 2-acetaminoacrylate

데이터베이스 식별자

CAS: 35356-70-8
PubChem CID: 98644
DTXSID: DTXSID70188849
ChEMBL: CHEMBL4868054
UNII: GT3ARJ50FG
EC Number: 609-121-9
Nikkaji: J308.269E

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 50 · 50-52 °C (lit.)
끓는 점: 104 °C/8 · 104 °C/8 mmHg (lit.)
밀도: 1.3075 · 1.3075 (rough estimate)
굴절률: 1.434 · 1.4340 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 13.12 · 13.12±0.46(Predicted)
색상: 회백색
BRN: 1812208 · 1812208
InChI: InChI=1S/C6H9NO3/c1-4(6(9)10-3)7-5(2)8/h1H2,2-3H3,(H,7,8)
InChIKey: SMWNFFKPVLVOQQ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(NC(C)=O)=C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 46 reports by companies from 6 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: 29241990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Methyl 2-acetamidoacrylate exhibits anti-inflammatory property and decreases induced acute kidney injury in mice.

일반 설명Conjugated addition of secondary amines, imidazole and pyrazole to methyl 2 methyl 2-acetamidoacrylate in the presence of a catalyst results in the formation of β-Dialkylamino-α-alanine and β-(N-heteroaryl)-α-alanine derivatives. Methyl-2-acetamidoacrylate (M2AA) is an anti-inflammatory agent. The catalytic reaction of methyl 2-acetamidoacrylate with Grignard′s reagents affords α-amino esters. M2AA can form thermosensitive copolymers with methyl acrylate.