1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

HCID 3375768

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 162648-46-6
표준 SMILES: CN1CCCc2cc(C(=O)O)ccc21
InChIKey: NSGXPBOALKQVNP-UHFFFAOYSA-N
분자식: C11H13NO2
평균 분자량: 191.23 g/mol
단동위원소 질량: 191.09462866

이름 및 식별자

우선 이름: 1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
IUPAC: 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
영어명: 1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
분자식: C11H13NO2
분자량: 191.23

이름 및 동의어

162648-46-61-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid1-methyl-3,4-dihydro-2H-quinoline-6-carboxylic AcidMFCD009567246-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-NSGXPBOALKQVNP-UHFFFAOYSA-NSCHEMBL2817935SCHEMBL30041535DTXSID20391922AKOS000303292AS-70149

이름 더 보기

1-PYRIMIDIN-4-YLMETHANAMINE1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-C1-methyl-3,4-dihydro-2H-quinoline-6-carboxylicaci1,2,3,4-Tetrahydro-1-methyl-6-quinolinecarboxylic acid1-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid - [M83391]1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-CARBOXYLIC ACID ISO 9001：2015 REACH

SY266980DB-019238CS-0318465C80011F0588941-methyl-1,2,3,4-tetrahydroquinolin-6-carboxylic acid1-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylicacid

데이터베이스 식별자

CAS: 162648-46-6
PubChem CID: 3375768
DTXSID: DTXSID20391922
EC Number: 116-510-2

물성

구조 계산 물성

XLogP: 2
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 229

물리화학적 성질

끓는 점: 390.7 · 390.7±35.0 °C(Predicted)
밀도: 1.196 · 1.196
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 5.1 · 5.10±0.20(Predicted)
물리적 상태: solid
InChI: 1S/C11H13NO2/c1-12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey: NSGXPBOALKQVNP-UHFFFAOYSA-N
SMILES: CN1C(C=C2)=C(CCC1)C=C2C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사23 곳

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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

南京药石科技股份有限公司025-86918202 4000255188 · [email protected]

南京药石科技股份有限公司4000255188 · [email protected]

台州南峰药物研究所[email protected] 18616377689 · [email protected]

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