3,5-디메틸-4-이속사졸메타민

(Dimethyl-1,2-oxazol-4-yl)methanamine

HCID 11018874CAS 131052-47-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1noc(C)c1CN
InChIKey: CXRIJWLNQSZJTG-UHFFFAOYSA-N
분자식: C6H10N2O
평균 분자량: 126.16 g/mol
단동위원소 질량: 126.07931294

이름 및 식별자

우선 이름: (Dimethyl-1,2-oxazol-4-yl)methanamine
IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)methanamine
현지명: 3,5-디메틸-4-이속사졸메타민
영어명: 3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE
분자식: C6H10N2O
분자량: 126.16

이름 및 동의어

(dimethyl-1,2-oxazol-4-yl)methanamineRefChem:406163815-516-9131052-47-6(3,5-Dimethylisoxazol-4-yl)methanamine(3,5-dimethylisoxazol-4-yl)methylamine(3,5-dimethyl-1,2-oxazol-4-yl)methanamine4-Aminomethyl-3,5-dimethylisoxazole3,5-dimethyl-4-isoxazolemethanamineMFCD062130334-(Aminomethyl)-3,5-dimethylisoxazole1-(3,5-dimethyl-1,2-oxazol-4-yl)methanamine

이름 더 보기

3,5-디메틸-4-이속사졸메타민(3,5-Dimethylisoxazol-4-yl)(3,5-dimethyl-4-isoxazolyl)methanamine(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]AMINE3,5-DIMETHYL-4-ISOXAZOLEMETHANAMINE 97.0%

(3,5-Dimethylisoxazol-4-yl)methylamine hydrochloride4-Isoxazolemethanamine, 3,5-dimethyl-[(3,5-DIMETHYL-4-ISOXAZOLYL)METHYL]AMINE HCLSCHEMBL3906075DTXSID00452005CXRIJWLNQSZJTG-UHFFFAOYSA-NALBB-000222SBB046717

데이터베이스 식별자

CAS: 131052-47-6
PubChem CID: 11018874
DTXSID: DTXSID00452005
EC Number: 815-516-9

물성

구조 계산 물성

XLogP: 0
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

끓는 점: 239.9 · 239.9±35.0 °C(Predicted)
밀도: 1.069 · 1.069±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.3 · 8.30±0.29(Predicted)
물리적 상태: 결정성 분말
색상: 무색
InChI: 1S/C6H10N2O.ClH/c1-4-6(3-7)5(2)9-8-4;/h3,7H2,1-2H3;1H
InChIKey: WDDUIFIYJWSIOY-UHFFFAOYSA-N
SMILES: NCC1=C(C)ON=C1C.[H]Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2934999090
risk_code: 22
hazard_code: Xn
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사43 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

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

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

연결된 노트

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