(2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)(2,3-dimethoxyphenyl)methanone
기본 정보
- CAS
793678-83-8- 표준 SMILES
COc1cccc(C(=O)c2c(N)sc3c2CCC(C)C3)c1OC- InChIKey
HKXBVDGBCUNFCR-UHFFFAOYSA-N- 분자식
- C18H21NO3S
- 평균 분자량
- 331.4 g/mol
- 단동위원소 질량
- 331.12421471
이름 및 식별자
- 우선 이름
- (2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)(2,3-dimethoxyphenyl)methanone
- IUPAC
- (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(2,3-dimethoxyphenyl)methanone
- 영어명
- (2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-3-YL)(2,3-DIMETHOXYPHENYL)METHANONE
- 분자식
- C18H21NO3S
- 분자량
- 331.43
이름 및 동의어
793678-83-8(2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)(2,3-dimethoxyphenyl)methanone(2-Amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(2,3-dimethoxyphenyl)methanone(2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(2,3-dimethoxyphenyl)methanone3-(2,3-dimethoxybenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amineMFCD06363453AKOS005198932SY139996EN300-11277G36329F912542SR-01000059897
이름 더 보기
(2-Amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-3-yl)(2,3-dimethoxyphenyl)methanoneMethanone, (2-amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-3-yl)(2,3-dimethoxyphenyl)-(2-Amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophen-3-yl)(2,3-dimethoxy-phenyl)methanone(2-Amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(2,3-dimethoxyphenyl)methanone - [A88781]
SR-01000059897-1Z57041962(2-Amino-6-methyl-4,5,6,7-tetrahydro-3-benzothienyl)(2,3-dimethoxyphenyl)methanone(2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(2,3-dimethoxyphenyl)methanone
데이터베이스 식별자
- CAS
793678-83-8- PubChem CID
- 4868421
- EC Number
- 127-223-7
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 89.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 432
물리화학적 성질
- 끓는 점
- 562.4 · 562.4±50.0 °C(Predicted)
- 밀도
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, protect from light
- 산도 계수 (pKa)
- -1.16 · -1.16±0.40(Predicted)
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
관련 반응
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