4-(4-Hydroxymethylphenyl)piperidine-1-carboxylic acid t-butyl ester

HCID 22077056

노트 반응

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기본 정보

CAS: 864359-18-2
표준 SMILES: CC(C)(C)OC(=O)N1CCC(c2ccc(CO)cc2)CC1
InChIKey: YPAVHCJZNOTJLF-UHFFFAOYSA-N
분자식: C17H25NO3
평균 분자량: 291.4 g/mol

이름 및 식별자

우선 이름: 4-(4-Hydroxymethylphenyl)piperidine-1-carboxylic acid t-butyl ester
IUPAC: tert-butyl 4-[4-(hydroxymethyl)phenyl]piperidine-1-carboxylate
영어명: tert-butyl 4-(4-(hydroxymethyl)phenyl)piperidine-1-carboxylate
분자식: C17H25NO3
분자량: 291.39

이름 및 동의어

864359-18-24-(4-Hydroxymethylphenyl)piperidine-1-carboxylic acid t-butyl esterRefChem:514266850-898-0tert-butyl 4-(4-(hydroxymethyl)phenyl)piperidine-1-carboxylateMFCD18452163tert-butyl 4-[4-(hydroxymethyl)phenyl]piperidine-1-carboxylate4-(4-Hydroxymethyl-phenyl)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL2252152YPAVHCJZNOTJLF-UHFFFAOYSA-NAKOS015969387SB39143

이름 더 보기

1-Piperidinecarboxylic acid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ...1-Piperidinecarboxylic acid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester

DB-353000CS-00997811-Boc-4-(4-Hydroxymethyl-phenyl)-piperidineG61938EN300-1588603t-butyl 4-[4-(hydroxymethyl)phenyl]piperidin-1-carboxylatetert-butyl4-(4-(hydroxymethyl)phenyl)piperidine-1-carboxylate4-(4-hydroxymethyl-phenyl)-piperidine-1-carboxylicacid tert-butyl ester

데이터베이스 식별자

CAS: 864359-18-2
PubChem CID: 22077056
EC Number: 850-898-0

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 334

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.