4-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)벤조니트릴

1-(4-Cyanobenzyl)-5-hydroxymethyl-1H-imidazole

HCID 10198247

기본 정보

CAS
183500-36-9
표준 SMILES
N#Cc1ccc(Cn2cncc2CO)cc1
InChIKey
ACFSBQWDVYWNRT-UHFFFAOYSA-N
분자식
C12H11N3O
평균 분자량
213.23 g/mol
단동위원소 질량
213.09021197

이름 및 식별자

우선 이름
1-(4-Cyanobenzyl)-5-hydroxymethyl-1H-imidazole
IUPAC
4-[[5-(hydroxymethyl)imidazol-1-yl]methyl]benzonitrile
현지명
4-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)벤조니트릴
영어명
4-(5-Hydroxymethylimidazol-1-ylmethyl)benzonitrile
분자식
C12H11N3O
분자량
213.23524

이름 및 동의어

183500-36-91-(4-Cyanobenzyl)-5-hydroxymethyl-1H-imidazoleRefChem:225088CYP19A1/CYP11B2-IN-14-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)BENZONITRILE4-[[5-(hydroxymethyl)imidazol-1-yl]methyl]benzonitrileCHEMBL5996014-{[5-(Hydroxymethyl)-1H-imidazol-1-yl]methyl}benzonitrile4-[[5-(Hydroxymethyl)-1H-imidazol-1-yl]methyl]benzonitrileBenzonitrile, 4-[[5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-1-(4-cyanobenzyl)-5-hydroxymethylimidazolePFN5JN825H
이름 더 보기
4-(5-HYDROXYMETHYLIMIDAZOL-1-YLMETHYL)벤조니트릴
orb2566533SCHEMBL3630524DTXSID40436662ACFSBQWDVYWNRT-UHFFFAOYSA-NBDBM50307240DA-49650HY-1554931-(4-Cyanobenzyl)-5-Hydroxymethyl-imidazole

데이터베이스 식별자

CAS
183500-36-9
PubChem CID
10198247
DTXSID
DTXSID40436662
ChEMBL
CHEMBL599601
UNII
PFN5JN825H

물성

구조 계산 물성

XLogP
0.5
극성 표면적
61.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
16

물리화학적 성질

물리적 상태
Solid
색상
White to off-white

화학 및 산업

공급사3 곳

山东领海生物科技有限公司15092083467 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]

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