3-TERT-부틸리속사졸-5-아민

3-TERT-부틸리속사졸-5-아민 · 5-AMINO-3-T-BUTYL ISOXAZOLE · 3-TERT-BUTYL-5-ISOXAZOLAMINE · 3-TERT-BUTYLISOXAZOL-5-AMINE · 3-tert-butylisoxazole-5-aMine · 3-tert-Butyl-5-aminoisoxazole · 3-tert-Butyl-isoxazol-5-ylamine · 3-tert-butyl-1,2-oxazol-5-aMine

https://huagongshe.com/ko/chemical/2095694

식별자 및 물리적 특성

CAS No.	59669-59-9
분자식	C7H12N2O
평균 분자량	140.18 g/mol
단동위원소 질량	140.09496301 g/mol
SMILES	CC(C)(C)c1cc(N)on1
InChIKey	APHNQOGPYLTSFX-UHFFFAOYSA-N
PubChem CID	2095694
ChEMBL	CHEMBL1904213
EC No.	690-447-3
DTXSID	DTXSID60366513
현지명	3-TERT-부틸리속사졸-5-아민

화학 및 물리적 성질

XLogP	1.7
극성 표면적	52.1
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	119
끓는 점	248.1±28.0 °C(Predicted)
밀도	1.042±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	-0.31±0.50(Predicted)
InChI	InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)10-9-5/h4H,8H2,1-3H3
InChIKey	APHNQOGPYLTSFX-UHFFFAOYSA-N
SMILES	O1C(N)=CC(C(C)(C)C)=N1

화학적 성질

White solid

안전 및 규제

GHS 분류	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
운송 번호(UN)	2811
관세 코드	29349990
위험 문구(R)	20/21/22
안전 문구(S)	36/37-24/25