1-Methyl-1H-indole-5-carboxylic acid

HCID 7015601CAS 186129-25-9

기본 정보

표준 SMILES: Cn1ccc2cc(C(=O)O)ccc21
InChIKey: UHQAIJFIXCOBCN-UHFFFAOYSA-N
분자식: C10H9NO2
평균 분자량: 175.18 g/mol
단동위원소 질량: 175.06332853

이름 및 식별자

우선 이름: 1-Methyl-1H-indole-5-carboxylic acid
IUPAC: 1-methylindole-5-carboxylic acid
영어명: 1-Methyl-1H-indole-5-carboxylic acid
분자식: C10H9NO2
분자량: 175.18

이름 및 동의어

1-Methyl-1H-Indole-5-Carboxylic AcidRefChem:433870676-097-4186129-25-91-methylindole-5-carboxylic Acid1-Methyl-5-indolecarboxylic Acid1H-Indole-5-carboxylic acid, 1-methyl-MFCD038398591-Methyl-5-indolecarboxylicAcidSCHEMBL103922orb3031544SCHEMBL3392072

이름 더 보기

5-Carboxy-1-methyl-1H-indole1-Methyl-1H-indole-5-carboxylicacid97%1-Methyl-1H-indole-5-carboxylic acid 97%

N-methylindol-5-carboxylic acidSCHEMBL30233739DTXSID20426748UHQAIJFIXCOBCN-UHFFFAOYSA-NFr12251ALBB-014094Methyl 1H-indole-5-carboxylic acidSBB066707

데이터베이스 식별자

CAS: 186129-25-9
PubChem CID: 7015601
DTXSID: DTXSID20426748
EC Number: 676-097-4

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 42.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 221 · 221-223.5
끓는 점: 389 · 389.0±15.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.44 · 4.44±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

HS 번호: 2933998090
risk_code: 36/37/38-20/21/22-36
hazard_code: Xn,Xi
safety_code: 26-36/37/39-22
위험 등급: IRRITANT
위험 참고 사항: Harmful

화학 및 산업

응용 분야

용도5-Carboxy-1-methylindole is used in the preparation of diazaspiro ROCK inhibitors which is used for treating diseases.

상·하류 제품 정보

상류 원료

하류 제품

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

공급사50 곳

宁波振岳医药科技有限公司19817745290 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

연결된 노트

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