기본 정보
- CAS
23249-97-0- 표준 SMILES
O=C(O)CCc1nc2ccccc2[nH]1- InChIKey
XYWJNTOURDMTPI-UHFFFAOYSA-N- 분자식
- C10H10N2O2
- 평균 분자량
- 190.2 g/mol
- 단동위원소 질량
- 190.07422757
이름 및 식별자
- 우선 이름
- Procodazole
- IUPAC
- 3-(1H-benzimidazol-2-yl)propanoic acid
- 현지명
- 2-벤즈이미다졸프로피온산
- 영어명
- 2-Benzimidazolepropionic acid
- 분자식
- C10H10N2O2
- 분자량
- 190.2
이름 및 동의어
Procodazole23249-97-02-Benzimidazolepropionic acid1H-Benzimidazole-2-propanoic acidProcodazolPropazolEstimulocelProcodazole [INN]Procodazolum2-(2-Carboxyethyl)benzimidazoleProcodazol [INN-Spanish]Procodazolum [INN-Latin]
이름 더 보기
2-벤즈이미다졸프로피온산3-(1H-propazoleAKOS AUF2065IFLAB-BB F0852-0156
NSC 35790NSC-35790DTXSID5045093UNII-SG5IU7FD3RSG5IU7FD3Rbeta-(2-Benzimidazole)propionic acidbeta-(2-Benzimidazolyl)propionic acidAL-1241
데이터베이스 식별자
- CAS
23249-97-0- PubChem CID
- 65708
- DTXSID
DTXSID5045093- ChEMBL
CHEMBL596009- ChEBI
CHEBI:134840- UNII
- SG5IU7FD3R
- EC Number
- 628-218-7
- Nikkaji
- J16.767C
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 66 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 220
물리화학적 성질
- 녹는점
- 229 · 229-231 °C (dec.)(lit.)
- 끓는 점
- 497.9 · 497.9±28.0 °C(Predicted)
- 밀도
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 mg/mL · DMSO : ≥ 30 mg/mL (157.73 mM)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 3.98 · 3.98±0.10(Predicted)
- 색상
- White to off-white
- Merck
- 13 · 13,7851
- InChI
- InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
- InChIKey
- XYWJNTOURDMTPI-UHFFFAOYSA-N
- SMILES
- C1(CCC(O)=O)NC2=CC=CC=C2N=1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；Acute Tox. 4 (100%)；STOT SE 3 (97.5%)
안전 데이터
- wgk
- 3
- rtecs
- UE7480000
- HS 번호
- 29332990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-37/39
- 위험 등급
- IRRITANT
- Hazard Classifications
화학 및 산업
응용 분야
용도2-Benzimidazolepropionic acid is suitable reagent for use in the method of generation of monoclonal antibodies against very small drug hapten, 5-benzimidazolecarboxylic acid by in vivo immunisation method and an in vitro immunisation procedure. It may be used in the synthesis of cytidine derivatives.
일반 설명2-Benzimidazolepropionic acid is a 2-(4-thiazolyl)benzimidazole analog. 2-Benzimidazolepropionic acid is a 2-substituted benzimidazole ligand and its dissociation constant has been evaluated. 2-Benzimidazolepropionic acid is reported to possess active antimarial activity.
상·하류 제품 정보
하류 제품
공급사68 곳
韶远科技(上海)有限公司4000665055 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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