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기본 정보
- CAS
58484-76-7- 표준 SMILES
[H]/N=C(/Cc1ccc(O)cc1)NO- InChIKey
FTFFWVKTHDZJMW-UHFFFAOYSA-N- 분자식
- C8H10N2O2
- 평균 분자량
- 166.18 g/mol
- 단동위원소 질량
- 166.07422757
이름 및 식별자
- 우선 이름
- N'-hydroxy-2-(4-hydroxyphenyl)ethanimidamide
- IUPAC
- N'-hydroxy-2-(4-hydroxyphenyl)ethanimidamide
- 현지명
- N-하이드록시-2-(4-하이드록시-페닐)-아세트아미딘
- 영어명
- N-HYDROXY-2-(4-HYDROXY-PHENYL)-ACETAMIDINE
- 분자식
- C8H10N2O2
- 분자량
- 166.18
이름 및 동의어
58484-76-7N'-hydroxy-2-(4-hydroxyphenyl)ethanimidamideRefChem:821266832-772-7N-Hydroxy-2-(4-hydroxyphenyl)acetimidamideN-HYDROXY-2-(4-HYDROXY-PHENYL)-ACETAMIDINEMFCD00109382(E)-N'-Hydroxy-2-(4-hydroxyphenyl)acetimidamideSCHEMBL838150SCHEMBL838151FTFFWVKTHDZJMW-UHFFFAOYSA-NMFCD05663184
이름 더 보기
N-하이드록시-2-(4-하이드록시-페닐)-아세트아미딘N-Hydroxy-2-(4-hydroxyphenyl)BENZENEETHANIMIDAMIDE,N,4-DIHYDROXY-N-Hydroxy-2-(4-Hydroxy-Phenyl)-Acetamidine(WX690137)tert-Butyl ((5-methyl-1,2,4-oxadiazol-3-yl)methyl)carbamate
SY126975N'-hydroxy-2-(4-hydroxyphenyl)acetamidineDB-298752(1Z)-N-hydroxy-2-(4-hydroxyphenyl)ethanimidamideF336960
데이터베이스 식별자
- CAS
58484-76-7- PubChem CID
- 2774692
물성
구조 계산 물성보충 중
- XLogP
- 0.6
- 극성 표면적
- 78.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 162
물리화학적 성질
- 녹는점
- 171 · 171-173 °C(Solv: water (7732-18-5))
- 끓는 점
- 356.6 · 356.6±44.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 9.89 · 9.89±0.15(Predicted)
- 물리적 상태
- powder
- InChI
- 1S/C8H10N2O2/c9-8(10-12)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,9H2
- InChIKey
- HTCITPSOIMJDHD-UHFFFAOYSA-N
- SMILES
- NC(CC1=CC=C(O)C=C1)N=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+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 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Skin Sens. 1 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사10 곳
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
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