CAS 376592-93-7 3-(3-Amino-2-hydroxyphenyl)benzoic acid (HCID 11492332)

기본 정보

CAS: 376592-93-7
표준 SMILES: Nc1cccc(-c2cccc(C(=O)O)c2)c1O
InChIKey: ZXLYSSHNDUXXIN-UHFFFAOYSA-N
분자식: C13H11NO3
평균 분자량: 229.23 g/mol
단동위원소 질량: 229.07389321

이름 및 식별자

우선 이름: 3-(3-Amino-2-hydroxyphenyl)benzoic acid
IUPAC: 3-(3-amino-2-hydroxyphenyl)benzoic acid
영어명: 3''-Amino-2''-hydroxy-biphenyl-3-carboxylic acid
분자식: C13H11NO3
분자량: 229.23

이름 및 동의어

3-(3-amino-2-hydroxyphenyl)benzoic acidRefChem:491702814-404-7376592-93-73'-Amino-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid3'-AMINO-2'-HYDROXYBIPHENYL-3-CARBOXYLIC ACIDMFCD100014673''-AMINO-2''-HYDROXY-BIPHENYL-3-CARBOXYLIC ACIDEltrombopag Impurity 63'-Amino-2'-hydroxy-3-biphenylcarboxylic acidDTXSID104675092GS5685MP9

이름 더 보기

EltroMbopag Iltrombopag Impurityltrombopag Impurity 9Eltrombopag Intermediate 2DarunavirDiamino(2S,3R)IsomerEltrombopag Impurity 40 MonomerEltrombopag olamine Intermediate 1-Biphenyl]-3-carboxylicacid, 3'3-(3-amino-2-hydroxyphenyl)benzoicaci

CS-B07723'-Amino-2'-Hydroxy-[1,1']biphenyl-3-carboxylic AcidDS-5044[1,1'-Biphenyl]-3-carboxylic acid, 3'-amino-2'-hydroxy-AC-247133'-Amino-2'-hydroxy-[1,1'-biphenyl]-3-carboxylicacid3'-Amino-2'-hydroxy[1,1'-biphenyl]-3-carboxylic acid3'-AMINO-2'-HYDROXY-BIPHENYL-3-CARBOXYLIC ACID

데이터베이스 식별자

CAS: 376592-93-7
PubChem CID: 11492332
DTXSID: DTXSID10467509
UNII: 2GS5685MP9
EC Number: 814-404-7

물성

구조 계산 물성

XLogP: 2
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 282

물리화학적 성질

녹는점: 222 °C · 222 °C(dec.)
끓는 점: 474.8 · 474.8±45.0 °C(Predicted)
밀도: 1.364 · 1.364
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태: 고체
산도 계수 (pKa): 3.99 · 3.99±0.10(Predicted)
색상: 연한 노란색에서 밝은 갈색까지
InChI: InChI=1S/C13H11NO3/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17/h1-7,15H,14H2,(H,16,17)
InChIKey: ZXLYSSHNDUXXIN-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC(N)=C2O)=CC=CC(C(O)=O)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

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.