아민,탈로우알킬,포름알데히드및페놀과의반응생성물,에톡시화,아세테이트(염)

Reaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate

HCID 19782904CAS 106168-20-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+]
InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-N
분자식: C6H8O7
평균 분자량: 192.12 g/mol

개요

A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium-chelating ability. Citric acid is one of the active ingredients in Phexxi, a non-hormonal contraceptive agent that was approved by the FDA on May 2020. It is also used in combination with magnesium oxide to form magnesium citrate, an osmotic laxative.

이름 및 식별자

우선 이름: Reaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate
IUPAC: hydron;2-hydroxypropane-1,2,3-tricarboxylate
현지명: 아민,탈로우알킬,포름알데히드및페놀과의반응생성물,에톡시화,아세테이트(염)
영어명: Amines, tallow alkyl, reaction products with formaldehyde and phenol, ethoxylated, acetates (salts)
분자량: 0

이름 및 동의어

117148-05-7125139-08-4106168-20-1106809-03-4125139-09-5153301-06-516922-05-7SCHEMBL445486DE 71SEA14805Hexanedioic acid, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione and 2,2-oxybisethanol, 2-propenoateReaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate

이름 더 보기

아민,탈로우알킬,포름알데히드및페놀과의반응생성물,에톡시화,아세테이트(염)Amines, tallow alkyl, reaction products with formaldehyde and phenol, ethoxylated, acetates (salts)

데이터베이스 식별자

CAS: 106168-20-1、117148-05-7、125139-08-4、153301-06-5、77-92-9
PubChem CID: 19782904
EC Number: 406-460-2

물성

구조 계산 물성

극성 표면적: 141 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 211

실험 및 물리화학적 성질

LogP-1.64

Solubility592.0 mg/mL

Melting Point153 °C

Physical DescriptionSolid

Dissociation Constants2.79

안전 및 규제

GHS 분류

GHS Classification · 4건

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Chemical: Neodecanoic acid, oxiranylmethyl ester, polymer with ethenylbenzene, 2-hydroxyethyl 2-methyl-2-propenoate, methyl 2-methyl-2-propenoate, 1,2-propanediol mono(2-methyl-2-propenoate) and 2-propenoic acid

Chemical: Amines, tallow alkyl, reaction products with formaldehyde and phenol, ethoxylated, acetates (salts)

REACH registered substance: Reaction products of: poly(vinyl acetate), partially hydrolyzed, with (E)-2-(4-formylstyryl)-3,4-dimethylthiazoliummethyl sulfate (EC: 406-460-2)

Neodecanoic acid, oxiranylmethyl ester, polymer with ethenylbenzene, 2-hydroxyethyl 2-methyl-2-propenoate, methyl 2-methyl-2-propenoate, 1,2-propanediol mono(2-methyl-2-propenoate) and 2-propenoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2건

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

화학 및 산업

약리 정보

Tissue LocationsAll Tissues

Cellular LocationsCytoplasm

Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency

공급사1 곳

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