2-(1-methyl-1H-indol-3-yl)acetic acid

HCID 254166

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1912-48-7
표준 SMILES: Cn1cc(CC(=O)O)c2ccccc21
InChIKey: NAIPEFIYIQFVFC-UHFFFAOYSA-N
분자식: C11H11NO2
평균 분자량: 189.21 g/mol
단동위원소 질량: 189.07897859

이름 및 식별자

우선 이름: 2-(1-methyl-1H-indol-3-yl)acetic acid
IUPAC: 2-(1-methylindol-3-yl)acetic acid
영어명: 1-Methyl-3-indoleacetic acid
분자식: C11H11NO2
분자량: 189.21

이름 및 동의어

2-(1-methyl-1H-indol-3-yl)acetic acidRefChem:451048693-051-91912-48-71-Methyl-3-indoleacetic acid2-(1-methylindol-3-yl)acetic acid1-methylindole-3-acetic acid1h-indole-3-acetic acid, 1-methyl-MFCD00130160(1-methyl-1h-indol-3-yl)acetic acid(1-methyl-3-indolyl)acetic acidF1920-0023

이름 더 보기

NSC 78007RARECHEM AH BS 0119IFLAB-BB F1920-00232-(1-methylindol-3-yl)aceticaci1-METHYL-3-INDOLEACETIC ACID 98%2-(N-Methylindole-3-yl)acetic acid

1-methyl-1H-indole-3-acetic acid3VYNSC78007(1-methyl-1{H}-indol-3-yl)acetic acidNCIOpen2_000867Oprea1_357939N-methyl-3-indoleacetic acidCHEMBL85031

데이터베이스 식별자

CAS: 1912-48-7
PubChem CID: 254166
DTXSID: DTXSID20291791
ChEMBL: CHEMBL85031
EC Number: 693-051-9
Nikkaji: J885.351G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 42.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 126 · 126-128 °C (lit.)
끓는 점: 392 · 392.0±17.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 4.53 · 4.53±0.30(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 황갈색까지
InChI: InChI=1S/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)
InChIKey: NAIPEFIYIQFVFC-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=CC=C2)C(CC(O)=O)=C1

화학적 성질

Light Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2933998090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Methylindole-3-acetic Acid is a N-methylated derivative of Indole-3-acetic acid, a natural auxin, with plant growth regulating activity.

일반 설명1-Methyl-3-indoleacetic acid is an indole derivative. Direct and riboflavin- or Rose-Bengal-sensitized photo-oxidation of 1-methyl-3-indoleacetic acid in aqueous buffer (pH 5 or pH 8) containing 10% methanol has been studied.

상·하류 제품 정보

상류 원료

공급사75 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

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