CAS 19980-00-8 4-Piperidinemethanol, 1-benzoyl- (HCID 10262870)｜Huagongshe

4-Piperidinemethanol, 1-benzoyl-

HCID 10262870

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 19980-00-8
표준 SMILES: O=C(c1ccccc1)N1CCC(CO)CC1
InChIKey: RLTIVBMLQJFUOB-UHFFFAOYSA-N
분자식: C13H17NO2
평균 분자량: 219.28 g/mol
단동위원소 질량: 219.12592879

이름 및 식별자

우선 이름: 4-Piperidinemethanol, 1-benzoyl-
IUPAC: [4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
영어명: [4-(hydroxymethyl)-1-piperidinyl]phenylMethanone
분자식: C13H17NO2
분자량: 219.28

이름 및 동의어

19980-00-84-Piperidinemethanol, 1-benzoyl-DTXSID60437535RefChem:295670DTXCID40388359(4-(hydroxymethyl)piperidin-1-yl)(phenyl)methanone(1-Benzoylpiperidin-4-yl)methanolMethanone, [4-(hydroxymethyl)-1-piperidinyl]phenyl-1-benzoyl-4-hydroxymethylpiperidine[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone[4-(hydroxymethyl)piperidin-1-yl](phenyl)methanoneMFCD08694474

이름 더 보기

Eficonazole Imp -II-01Efluconazole impurity 23Efinaconazole Impurity 14Efinaconazole Impurity 34N-Benzoyl-4-hydroxymethylpiperidine[4-(hydroxymethyl)-1-piperidinyl]phenylMethanone

Methanone [4-(hydroxymethyl)-1-piperidinyl]phenyl-Efficonazole methyl alcohol[4-(hydroxymethyl)-1-piperidyl]-phenyl-methanoneorb3030820SCHEMBL3459209RLTIVBMLQJFUOB-UHFFFAOYSA-N4-hydroxymethyl-N-benzoylpiperidineFr13323

데이터베이스 식별자

CAS: 19980-00-8
PubChem CID: 10262870
DTXSID: DTXSID60437535
Nikkaji: J2.193.650B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 228

물리화학적 성질

녹는점: 83 · 83-85 °C
끓는 점: 386.3 · 386.3±15.0 °C(Predicted)
밀도: 1.135 · 1.135±0.06 g/cm3(Predicted)
산도 계수 (pKa): 14.94 · 14.94±0.10(Predicted)

화학 및 산업

공급사20 곳

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

吉林中科研伸科技有限公司18143011203 · [email protected]

관련 반응

26건

반응 기록 만들기

HRID 176096 반응식

HRID 176096반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 278248 반응식

HRID 278248생성물로uspto-grants-2002_03

HRID 278249 반응식

HRID 278249반응물로uspto-grants-2002_03

HRID 696853 반응식

HRID 696853생성물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 697033 반응식

HRID 697033반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 702809 반응식

HRID 702809생성물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 810571 반응식

HRID 810571반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 953706 반응식

HRID 953706반응물로Validation data from https://doi.org/10.1039/C8SC04228D

화합물 노트

불러오는 중…