3-아미노크로톤산메틸

Methyl 3-aminocrotonate

HCID 643918CAS 14205-39-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)/C=C(/C)N
InChIKey
XKORCTIIRYKLLG-ARJAWSKDSA-N
분자식
C5H9NO2
평균 분자량
115.13 g/mol
단동위원소 질량
115.06332853

이름 및 식별자

우선 이름
Methyl 3-aminocrotonate
IUPAC
methyl (Z)-3-aminobut-2-enoate
현지명
3-아미노크로톤산메틸
영어명
Methyl 3-aminocrotonate
분자식
C5H9NO2
분자량
115.13

이름 및 동의어

Methyl 3-aminocrotonateDTXCID7030270DTXSID7051715RefChem:81525014205-39-121731-17-9methyl 3-aminobut-2-enoatemethyl (Z)-3-aminobut-2-enoate3-Aminocrotonic Acid Methyl EsterMethyl (Z)-3-aminocrotonatemethyl (2Z)-3-aminobut-2-enoate(Z)-methyl 3-aminobut-2-enoate
이름 더 보기
3-아미노크로톤산메틸3-Aminocrotonatemethyl (E)-3-aminobut-2-enoate3-Amino-but-2-enoic acid methyl esterPALO-012Nifedipine-4Methyl 3-aminocrotonNifedipine Impurity 5
3-Amino-2-butenoic Acid Methyl Estermethyl (2Z)-3-amino-2-butenoatemethyl beta-aminocrotonateR4X25GNG1J2-Butenoic acid, 3-amino-, methyl ester, (2Z)-Methyl 3-amino-2-butenoate, (2Z)-2-Butenoic acid, 3-amino-, methyl esterNifedipine EP Impurity D

데이터베이스 식별자

CAS
14205-39-1、21731-17-9
PubChem CID
643918
DTXSID
DTXSID701245448
UNII
R4X25GNG1J
EC Number
238-056-5、244-549-6
Nikkaji
J25.556D、J60.934J

물성

구조 계산 물성

XLogP
0.6
극성 표면적
52.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
8

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

녹는점
81 · 81-83 °C(lit.)
끓는 점
112 °C · 112°C 42mm
밀도
1.1808 · 1.1808 (rough estimate)
증기압
2.79 · 2.79-2.853hPa at 25℃
굴절률
1.4538 · 1.4538 (estimate)
인화점
91 °C · 91 °C

화학적 성질

Crystals, yellowish-white

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Butenoic acid, 3-amino-, methyl ester

Status: Active Update: 27-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28282

2-Butenoic acid, 3-amino-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
EM9092500
HS 번호
29224995
risk_code
22-36/37/38
hazard_code
Xn

화학 및 산업

용도 및 제조

General Manufacturing Information2-Butenoic acid, 3-amino-, methyl ester: ACTIVE

응용 분야

용도Methyl 3-aminocrotonate is used as intermediate for the syntheses of pharmaceuticals (e.g. 1,4-dihydropyridine derivatives) as well as for the manufacture of stabilizers and plastics. Product Data Sheet

일반 설명Methyl 3-aminocrotonate undergoes waste-free solid-state cascade reaction with crystalline ninhydrin.

제조 방법 · 1건

3-Aminocrotonate Esters, e.g., methyl 3- aminocrotonate [14205-39-1] (3-amino-2-butenoic acid, methyl ester) can be prepared by treatment of acetoacetates with aqueous ammonia. They are mainly used in the production of a series of the dihydropyridine-type calcium antagonists.

상·하류 제품 정보

공급사50 곳

北京华美互利生物化工010-56205725 · [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]
黄冈赛康药业有限公司[email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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