1,11-운데칸디카복실산

Tridecanedioic acid

HCID 10458CAS 505-52-2
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기본 정보

표준 SMILES
O=C(O)CCCCCCCCCCCC(=O)O
InChIKey
DXNCZXXFRKPEPY-UHFFFAOYSA-N
분자식
C13H24O4
평균 분자량
244.33 g/mol
단동위원소 질량
244.16745925

개요

Tridecanedioic acid is an alpha,-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. It has a role as a metabolite.

이름 및 식별자

우선 이름
Tridecanedioic acid
IUPAC
tridecanedioic acid
현지명
1,11-운데칸디카복실산
영어명
1,11-Undecanedicarboxylic acid
분자식
C13H24O4
분자량
244.33

이름 및 동의어

TRIDECANEDIOIC ACID505-52-21,11-Undecanedicarboxylic acidBrassylic acid1,13-Tridecanedioic acidDTXSID9021683PL3IQ40C34CHEBI:73718NSC-9498DTXCID901683RefChem:191445208-011-4
이름 더 보기
1,11-운데칸디카복실산트라이데케인다이오산UNDECANE-1TRIDECANDIOIC ACID1,13-Brassylic acidTridecanedionicacid11-DECARBOXYLIC ACID1,11-Undecanedicarbo
Brassilic acidtridecanedioateBrassilateUndecane-1,11-dicarboxylic acidMFCD00002740SCHEMBL20802NSC9498Tox21_302982

데이터베이스 식별자

CAS
505-52-2
PubChem CID
10458
DTXSID
DTXSID9021683
ChEMBL
CHEMBL3187746
ChEBI
CHEBI:73718
UNII
PL3IQ40C34
EC Number
208-011-4
Nikkaji
J102.933I

물성

구조 계산 물성

XLogP
3.7
극성 표면적
74.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
12
무거운 원자 수
17

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
SpringerMaterials PropertiesCrystal structure
Solubility1.5 mg/mL at 21 °C
Melting Point111 °C
Physical Description · 2건

Other Solid

Solid

물리화학적 성질

녹는점
112 · 112-114 °C(lit.)
끓는 점
415.5 °C · 415.5°C (rough estimate)
밀도
1.15 g/cm3 · 1.15 g/cm3 (25℃)
증기압
0 Pa · 0Pa at 20℃
굴절률
1.4453 · 1.4453 (estimate)
저장 조건
Sealed in dry,Room Temperature

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (25.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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)

Aggregated GHS information provided per 168 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Tridecanedioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tridecanedioic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 07-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/5931

Tridecanedioic 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 CategoriesSkin Irrit. 2 (25.6%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29171990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb
Industry UsesBinder
General Manufacturing Information · 2건

Adhesive Manufacturing

Tridecanedioic acid: ACTIVE

응용 분야 · 1건

용도1,11-Undecanedicarboxylic Acid is used in the synthesis of two Bis(tetrahydroisoquinoline) which were highly cytotoxic for cancer-cell cultures and less toxic to healthy cells and exhibited noticeable antimicrobial activity against Gram-positive and Gram-negative bacteria and fungal strain Candida albicans.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]

추가 설명

정의ChEBI: An alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11.

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