5-에틸-1,3,4-옥사디아졸-2-일라민

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

HCID 343487

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3775-61-9
표준 SMILES: CCc1nnc(N)o1
InChIKey: XHSTYRIUVMKGDX-UHFFFAOYSA-N
분자식: C4H7N3O
평균 분자량: 113.12 g/mol
단동위원소 질량: 113.05891186

이름 및 식별자

우선 이름: 5-Ethyl-1,3,4-oxadiazol-2-amine
IUPAC: 5-ethyl-1,3,4-oxadiazol-2-amine
현지명: 5-에틸-1,3,4-옥사디아졸-2-일라민
영어명: 5-Ethyl-1,3,4-oxadiazol-2-ylamine
분자식: C4H7N3O
분자량: 113.12

이름 및 동의어

3775-61-95-ethyl-1,3,4-oxadiazol-2-amineDTXSID50321893RefChem:102533DTXCID20273012671-495-45-ETHYL-1,3,4-OXADIAZOL-2-YLAMINE2-Amino-5-ethyl-1,3,4-oxadiazol2-amino-5-ethyl-1,3,4-oxadiazole5-Ethyl-1,3,4-oxadiazole-2-amineMFCD026718901,3,4-Oxadiazol-2-amine,5-ethyl-

이름 더 보기

5-에틸-1,3,4-옥사디아졸-2-일라민

F2182-0121NSC 3829421,3,4-Oxadiazol-2-amine, 5-ethyl-5-ethyl-1,3,4-oxadiazole-2-ylamineNSC3829425-Ethyl-[1,3,4]oxadiazol-2-ylamineSCHEMBL368774CHEMBL4520233

데이터베이스 식별자

CAS: 3775-61-9
PubChem CID: 343487
DTXSID: DTXSID50321893
ChEMBL: CHEMBL4520233
EC Number: 671-495-4
Nikkaji: J1.582.521I

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 64.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 77

물리화학적 성질

녹는점: 180 · 180-181 °C
끓는 점: 235.3 · 235.3±23.0 °C(Predicted)
밀도: 1.206 · 1.206±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): -0.4 · -0.40±0.13(Predicted)
InChI: InChI=1S/C4H7N3O/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey: XHSTYRIUVMKGDX-UHFFFAOYSA-N
SMILES: O1C(CC)=NN=C1N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

안전 데이터

risk_code: 22
hazard_code: Xn

화학 및 산업

응용 분야

용도5-Ethyl-1,3,4-oxadiazol-2-amine is used as a reactant in the preparation of (acylimino)thiadiazoline derivatives as angiotensin II receptor antagonists.