1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one

HCID 11790505

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 99614-64-9
표준 SMILES: C=C1CCc2c(c3ccccc3n2C)C1=O
InChIKey: AGQJDIDJKSFVTC-UHFFFAOYSA-N
분자식: C14H13NO
평균 분자량: 211.26 g/mol
단동위원소 질량: 211.09971404

이름 및 식별자

우선 이름: 1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one
IUPAC: 9-methyl-3-methylidene-1,2-dihydrocarbazol-4-one
영어명: 1,2,3,9-Tetrahydro-9-methtyl-3-methylene-4H-carbazol-4-one
분자식: C14H13NO
분자량: 211.26

이름 및 동의어

99614-64-91,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one9-Methyl-3-methylene-1,2,3,9-tetrahydro-4H-carbazol-4-oneUNII-098F00IT8F4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-methylene-098F00IT8FDTXSID80244167Ondansetron hydrochloride dihydrate specified impurity D [EP]ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY D [EP IMPURITY]ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY D (EP IMPURITY)RefChem:71381DTXCID80166658

이름 더 보기

ONDANSETRON EP IMP DOndansetron impurity D (PhEur)Ondanserton Related Compound-DOndansetron USP Related Compound DOndansetron Related Compound D (USP)Ondansetron EP Impurity D (USP RC D)Ondansetron HCl EP IMpurity-D (USP RC D)3,9-dimethyl-2,3-dihydro-1H-carbazol-4-one

Ondansetron hydrochloride dihydrate specified impurity D9-Methyl-3-methylene-2,3-dihydro-1H-carbazol-4(9H)-oneOndansetron EP Impurity D9-methyl-3-methylidene-1,2-dihydrocarbazol-4-oneMFCD08063682Ondansetron Impurity DOndansetron impurity D CRSSCHEMBL3549753

데이터베이스 식별자

CAS: 99614-64-9
PubChem CID: 11790505
DTXSID: DTXSID80244167
UNII: 098F00IT8F
EC Number: 641-930-2
Nikkaji: J885.805E

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 22 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 16
형식 전하: 0
복잡도: 336

물리화학적 성질

끓는 점: 394 ℃ · 394℃
밀도: 1.18 · 1.18
인화점: 192 ℃ · 192℃
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: solid
BRN: 7920329 · 7920329
주요 응용: 의약품(소분자)
InChI: 1S/C14H13NO/c1-9-7-8-12-13(14(9)16)10-5-3-4-6-11(10)15(12)2/h3-6H,1,7-8H2,2H3
InChIKey: AGQJDIDJKSFVTC-UHFFFAOYSA-N
SMILES: Cn1c2CCC(=C)C(=O)c2c3ccccc13

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25-43
hazard_code: T
safety_code: 36/37-45
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects