2-amino-3-hydroxybenzoic acid

Dangerous Goods

CAS number：548-93-6 molecular formula：C7H7NO3

overview

Specs

numbering system

physicochemical properties

Safety information

Production methods and uses

MSDS

overview

compound introduction

3-hydroxyanthranilic acid is an aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan. It has a role as a mouse metabolite and a human metabolite. It is an aminobenzoic acid and a monohydroxybenzoic acid. It is functionally related to an anthranilic acid. It is a conjugate acid of a 3-hydroxyanthranilate. It is a tautomer of a 2,3-dihydro-3-oxoanthranilic acid.

Specs

Chinese alias	3-羟基邻氨基苯甲酸
English alias	CCRIS 4427 \| 3-Hydroxy-2-aminobenzoate \| 3-Hydroxy-anthranilsaeure [German] \| NSC 522891 \| 3-HAA, 3-HANA \| AI3-52837 \| CHEBI:15793 \| EN300-98786 \| WLN: ZR BQ FVQ \| HMS3373P15 \| SY030553 \| 1u1w \| 3-hydroxyantranilic acid \| DTXSID40203290 \| ACon1_002137 \| A
CAS number	548-93-6	molecular formula	C7H7NO3
molecular weight	153.14	Exact mass	-
PSA	83.6	logp	0.9

numbering system

CAS	548-93-6
UNII	1UQB1BT4OT
HMDB ID	HMDB0001476
KEGG ID	C00632
ChEBI ID	15793
Wikidata	Q2823213
ChEMBL ID	CHEMBL445304
Wikipedia	3-Hydroxyanthranilic_acid
NSC Number	NSC Number: NSC522891
DrugBank ID	DB03644
PubChem CID	86
MetaboLights	MTBLC36559
Nikkaji Number	J1.608J
DSSTox Substance ID	DTXSID40203290
Metabolomics Workbench ID	37817
European Community (EC) Number	208-962-5
PubChem Reference Collection SID	500737670

physicochemical properties

XLogP3	0.9
熔点	164 °C
复杂性	160
溶解度	SLIGHTLY SOL IN WATER, SOL IN HOT WATER, ALCOHOL, ETHER; SOL IN CHLOROFORM
Exact Mass	153.042593085
形式电荷	0
物理描述	Solid
解离常数	iupacpka
颜色/形态	LEAFLETS IN WATER
重原子计数	11
Molecular Weight	153.14
Monoisotopic Mass	153.042593085
可旋转键计数	1
氢键供体计数	3
氢键受体计数	4
共价键单元计数	1
同位素原子计数	0
拓扑极性表面积	83.6 Å²
Collision Cross Section	128.4 Å² [M-H]-
定义键立体中心计数	0
定义原子立体中心计数	0
未定义键立体中心计数	0
未定义原子手性中心计数	0

Safety information

相互作用：

EFFECT OF CIGARETTE SMOKING ON (CARCINOGEN) 3-HYDROXY ANTHRANILIC ACID EXCRETION WAS STUDIED ON 20 NORMAL INDIVIDUALS IN FASTING STATE. SMOKING INCR EXCRETION OF THIS METABOLITE IN URINE SIGNIFICANTLY.

人体毒性摘录：

讨论了内源性色氨酸代谢物及 1 种酪氨酸代谢物在诱导人类膀胱癌中可能的作用。

危害类别和分类：

致癌性 2 (97.6%)

非人体毒性摘录：

颗粒中 20% 3-羟基蒽酸的存在未改变肿瘤发生率。

人体暴露可能途径：

HYDROXYANTHRANILIC ACID WAS FOUND IN BOTH SERUM & BLOOD CLOTS OF WORKERS CONTACTING ANILINE DYES.

Production methods and uses

purpose

用途：

BIOLOGICAL INTERMEDIATE IN THE CONVERSION OF TRYPTOPHAN TO ACETYL-COENZYME A; BIOLOGICAL INTERMEDIATE IN THE BIOSYNTHESIS OF NIACIN FROM TRYPTOPHAN IN NIACIN-DEFICIENT ANIMALS

工业应用参考：

工业分类参考：石油、煤炭及其他燃料加工业。应用场景参考：可延伸到医疗、生物医药、科研院所及第三方检测等专业场景，但具体适用范围仍依赖技术条件。作用参考：在电池、电子、信息材料和高端制造等技术方向，常被视为可拓展的功能材料或中间材料。选型提示：涉及安全应用管理时，仍应以 MSDS、产品详情页和现场工艺控制要求为准，不应由参考文案替代。

upstream information

No upstream information yet

downstream information

No downstream information yet