기본 정보
- 표준 SMILES
CCNc1nc2ccccc2s1- InChIKey
SPJIVJKZYGYWQH-UHFFFAOYSA-N- 분자식
- C9H10N2S
- 평균 분자량
- 178.26 g/mol
- 단동위원소 질량
- 178.0564695
이름 및 식별자
- 우선 이름
- N-Ethyl-2-benzothiazolamine
- IUPAC
- N-ethyl-1,3-benzothiazol-2-amine
- 현지명
- 2-벤조티아졸아민,N-에틸-(9CI)
- 영어명
- 2-Benzothiazolamine,N-ethyl-(9CI)
- 분자식
- C9H10N2S
- 분자량
- 178.25
이름 및 동의어
N-Ethyl-1,3-benzothiazol-2-amine28291-69-2N-ETHYL-2-BENZOTHIAZOLAMINEDTXSID20182539RefChem:829850DTXCID10105030962-642-6N-ethylbenzo[d]thiazol-2-amine2-Benzothiazolamine,N-ethyl-(9CI)MFCD006134572-(Ethylamino)-1,3-benzothiazole2-Benzothiazolamine, N-ethyl-
이름 더 보기
2-벤조티아졸아민,N-에틸-(9CI)2-(Ethylamino)benzothiazole
Benzothiazole, 2-(ethylamino)-2-ethylamino-benzthiazole2-ethylamino-benzothiazoleOprea1_305279Oprea1_720145SCHEMBL1913774HMS1673K12DBA29169
데이터베이스 식별자
- CAS
28291-69-2- PubChem CID
- 34201
- DTXSID
DTXSID20182539- EC Number
- 962-642-6
- Nikkaji
- J102.648H
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 53.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 151
물리화학적 성질
- 녹는점
- 88 · 88-89 °C
- 끓는 점
- 142 °C · 142 °C(Press: 0.14 Torr)
- 밀도
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.7 · 3.70±0.10(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C9H10N2S/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,10,11)
- InChIKey
- SPJIVJKZYGYWQH-UHFFFAOYSA-N
- SMILES
- CCNc1nc2ccccc2s1
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사6 곳
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Aladdin Scientific[email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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