디메틸아미노말로네이트염산염

Dimethyl aminomalonate hydrochloride

HCID 437601CAS 16115-80-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C(N)C(=O)OC
InChIKey: MHDFJESNGMDHQD-UHFFFAOYSA-N
분자식: C5H9NO4
평균 분자량: 147.13 g/mol

이름 및 식별자

우선 이름: Dimethyl aminomalonate hydrochloride
IUPAC: dimethyl 2-aminopropanedioate
현지명: 디메틸아미노말로네이트염산염
영어명: Dimethyl aminomalonate hydrochloride
분자식: C5H10ClNO4
분자량: 183.59

이름 및 동의어

Dimethyl aminomalonate HClEINECS 240-284-5NSC 522525RefChem:338663240-284-516115-80-3Dimethyl aminomalonate hydrochloridedimethyl 2-aminomalonate53704-09-9dimethyl 2-aminopropanedioateDimethyl AminomalonateMFCD00829425

이름 더 보기

디메틸아미노말로네이트염산염2-AminomalonicaciddimethylesterHClDiMethyl 2-aMinoMalonate hydrochlorideDiMethyl aMinoMalonate hydrochloride 97%DIMETHYL AMINOMALONATE HYDROCHLORIDE, 97 %aminomalonic acid dimethyl ester hydrochlorideDimethyl 2-aminopropane-1,3-dioate hydrochloridePropanedioic acid, 2-amino-, 1,3-dimethyl ester, hydrochloride (1:1)

DIMETHYL 2-AMINOMALONATE, TECHDimethyl 2-aminomalonate (H-DL-Gly(CO2Me)-OMe)2-Aminomalonic acid dimethyl ester hydrochlorideSCHEMBL279148SCHEMBL7325444MHDFJESNGMDHQD-UHFFFAOYSA-Ndimethyl 2-aminopropane-1,3-dioateSBB054110

데이터베이스 식별자

CAS: 16115-80-3
PubChem CID: 437601
EC Number: 240-284-5
Nikkaji: J281.607E

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 78.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 160 °C · 160 °C (dec.)(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: 25 mg/mL, · 물: 용해성 25mg/mL, 투명, 무색 내지 희미한 노란색
물리적 상태: 결정 또는 결정성 분말
색상: 연노랑
수용성: 25 mg/mL, · water: soluble 25mg/mL, clear, colorless to faintly yellow
BRN: 3696467 · 3696467
InChI: 1S/C5H9NO4.ClH/c1-9-4(7)3(6)5(8)10-2;/h3H,6H2,1-2H3;1H
InChIKey: QWNDKNJSEWOEDM-UHFFFAOYSA-N
SMILES: Cl[H].COC(=O)C(N)C(=O)OC

화학적 성질

light yellow crystals or crystalline powder

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 41 reports by companies from 4 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: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Dimethyl aminomalonate hydrochloride (aminomalonic acid dimethyl ester hydrochloride) may be used in synthesis of methyl 3-phenyl-5-hydantoincarboxylate and Boc-Leu-Ama(OMe)2(Boc= tert-butyloxycarbonyl, Leu= leucine, Ama= aminomalonic acid). It may be used as starting reagent in the synthesis of the following:(R,S)-2-phenethylcysteine hydrochloridedimethyl 2,2,2-polynitroalkylnitroaminonitromalonatespirotryprostatin B

일반 설명Dimethyl aminomalonate hydrochloride is a hydrochloride salt of a dialkyl aminomalonate.