CAS 184698-41-7 Methyl 4-aminooxane-4-carboxylate (HCID 18698314)

기본 정보

CAS: 184698-41-7
표준 SMILES: COC(=O)C1(N)CCOCC1
InChIKey: AZFBPYNPITWILD-UHFFFAOYSA-N
분자식: C7H13NO3
평균 분자량: 159.18 g/mol
단동위원소 질량: 159.08954328

이름 및 식별자

우선 이름: Methyl 4-aminooxane-4-carboxylate
IUPAC: methyl 4-aminooxane-4-carboxylate
현지명: 2H-피란-4-카르복실산,4-아미노테트라히드로-,메틸에스테르(9CI)
영어명: 2H-Pyran-4-carboxylicacid,4-aminotetrahydro-,methylester(9CI)
분자식: C7H13NO3
분자량: 159.18

이름 및 동의어

184698-41-7methyl 4-aminooxane-4-carboxylateDTXSID30595676RefChem:816192DTXCID60546439Methyl 4-Aminotetrahydropyran-4-carboxylatemethyl 4-aminotetrahydro-2H-pyran-4-carboxylateMFCD096080012H-Pyran-4-carboxylicacid,4-aminotetrahydro-,methylester(9CI)METHYL 4-AMINO-TETRAHYDRO-2H-PYRAN-4-CARBOXYLATE4-Aminotetrahydropyran-4-carboxylic acid methyl ester2H-Pyran-4-carboxylic acid, 4-aminotetrahydro-, methyl ester

이름 더 보기

2H-피란-4-카르복실산,4-아미노테트라히드로-,메틸에스테르(9CI)4-AMinotetrahydro-2H-pyran-4-carboxylic acid Methyl esterMethyl 4-aMinotetrahydro-2H-pyran-4-carboxylate hydrochlorideMethyl 4-aminotetrahydropyran-4-carboxylate hydrochloride , 95%

SCHEMBL971209AZFBPYNPITWILD-UHFFFAOYSA-NAB3919AKOS010012757SB21658AS-44739SY0231964-amino-4-methoxycarbonyl-tetrahydropyrane

데이터베이스 식별자

CAS: 184698-41-7
PubChem CID: 18698314
DTXSID: DTXSID30595676
EC Number: 110-807-0

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 61.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 152

물리화학적 성질

끓는 점: 223.5 · 223.5±40.0 °C(Predicted)
밀도: 1.128 · 1.128±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: solid
산도 계수 (pKa): 6.24 · 6.24±0.20(Predicted)
InChI: 1S/C7H13NO3/c1-10-6(9)7(8)2-4-11-5-3-7/h2-5,8H2,1H3
InChIKey: AZFBPYNPITWILD-UHFFFAOYSA-N
SMILES: NC1(C(OC)=O)CCOCC1.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사56 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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