5-메틸-1,3,4-옥사디아졸-2-일라민

5-Methyl-1,3,4-oxadiazol-2-amine

HCID 2060250

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52838-39-8
표준 SMILES: Cc1nnc(N)o1
InChIKey: XPXWYVCQCNFIIJ-UHFFFAOYSA-N
분자식: C3H5N3O
평균 분자량: 99.09 g/mol
단동위원소 질량: 99.04326178

이름 및 식별자

우선 이름: 5-Methyl-1,3,4-oxadiazol-2-amine
IUPAC: 5-methyl-1,3,4-oxadiazol-2-amine
현지명: 5-메틸-1,3,4-옥사디아졸-2-일라민
영어명: 5-Methyl-1,3,4-oxadiazol-2-ylamine
분자식: C3H5N3O
분자량: 99.09

이름 및 동의어

52838-39-85-methyl-1,3,4-oxadiazol-2-amineDTXSID30366146RefChem:303892DTXCID60317186671-494-95-Methyl-1,3,4-oxadiazol-2-ylamineMFCD037034705-Methyl-[1,3,4]oxadiazol-2-ylamine2-amino-5-methyl-1,3,4-oxadiazoleAKOS000122337CS-W005125

이름 더 보기

5-메틸-1,3,4-옥사디아졸-2-일라민CHEMBRDG-BB 40131002-AMINO-5-METHYL-1,3,4-OXADIAZOL5-Methyl-1，3，4-oxadiazol-2-amine,0.985-methyl-1,3,4-oxadiazol-2-amine 0.02Na3PO45-Methyl-1,3,4-oxadiazol-2-aMine (SALTDATA: FREE)5-methyl-1,3,4-oxadiazol-2-amine(SALTDATA: 0.02Na3PO4)

PB23353AS-61716SY008409Z569575105-methyl-1,3,4-oxadiazole-2-ylamine1,3,4-Oxadiazol-2-amine, 5-methyl-AMY10288BB 0238379

데이터베이스 식별자

CAS: 52838-39-8
PubChem CID: 2060250
DTXSID: DTXSID30366146
ChEMBL: CHEMBL4756116
EC Number: 671-494-9
Nikkaji: J1.570.806I

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 64.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 67.2

실험 및 물리화학적 성질

LogP-0.92

물리화학적 성질

녹는점: 185 · 185-186°C
끓는 점: 228.8 · 228.8±23.0 °C(Predicted)
밀도: 1.283 · 1.283±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): -0.42 · -0.42±0.13(Predicted)
InChI: InChI=1S/C3H5N3O/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)
InChIKey: XPXWYVCQCNFIIJ-UHFFFAOYSA-N
SMILES: O1C(C)=NN=C1N

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.