3-(1-에틸-1-메틸프로필)-5-이속사졸라민

3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine

HCID 92402

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 82560-06-3
표준 SMILES: CCC(C)(CC)c1cc(N)on1
InChIKey: DFDAEJDUOXMUQR-UHFFFAOYSA-N
분자식: C9H16N2O
평균 분자량: 168.24 g/mol
단동위원소 질량: 168.12626313

이름 및 식별자

우선 이름: 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
IUPAC: 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine
현지명: 3-(1-에틸-1-메틸프로필)-5-이속사졸라민
영어명: 3-(1-Ethyl-1-methylpropyl)-5-isoxazolamine
분자식: C9H16N2O
분자량: 168.24

이름 및 동의어

82560-06-35-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)-3-(1-Ethyl-1-methylpropyl)-5-isoxazolamineDTXSID5073664EC 401-460-9RefChem:92055DTXCID3048310401-460-93-(3-methylpentan-3-yl)-1,2-oxazol-5-amine3-(3-Methylpentan-3-yl)isoxazol-5-amine3-(3-Methyl-3-pentyl)isoxazol-5-amineSCHEMBL9713142

이름 더 보기

3-(1-에틸-1-메틸프로필)-5-이속사졸라민3-(3-methylpent-3-yl)isoxazol-5-ylamine

MFCD02661244SY403939DB-340922NS000085955-amino-3-(1-ethyl-1-methylpropyl)isoxazoleH81655

데이터베이스 식별자

CAS: 82560-06-3
PubChem CID: 92402
DTXSID: DTXSID5073664
EC Number: 401-460-9
Nikkaji: J1.584.834K

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 145

물리화학적 성질

물리적 상태: Solid:crystalline
EPA: 5 · 5-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)- (82560-06-3)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P354+P338, P316, P317, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)