1-Cbz-4-히드록시메틸피페리딘

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

HCID 736490

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 122860-33-7
표준 SMILES: O=C(OCc1ccccc1)N1CCC(CO)CC1
InChIKey: LINIORCIRVAZSM-UHFFFAOYSA-N
분자식: C14H19NO3
평균 분자량: 249.3 g/mol
단동위원소 질량: 249.13649347

이름 및 식별자

우선 이름: Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
IUPAC: benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
현지명: 1-Cbz-4-히드록시메틸피페리딘
영어명: 1-Cbz-4-hydroxymethylpiperidine
분자식: C14H19NO3
분자량: 249.31

이름 및 동의어

122860-33-7benzyl 4-(hydroxymethyl)piperidine-1-carboxylateDTXSID90353037RefChem:328495DTXCID90304100675-939-81-Cbz-4-hydroxymethylpiperidineN-Cbz-4-(hydroxymethyl)piperidinen-cbz-4-piperidinemethanol1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-, phenylmethyl esterMFCD020944901-N-Cbz-hydroxymethyl-piperidine

이름 더 보기

1-Cbz-4-히드록시메틸피페리딘benzyl 4-(hydroxymethyl)piperidine-N-carboxylateZ-PIC(4)-OLZ-ISONIPECOTINOLBUTTPARK 75\50-51Z-ISONICOT(H6)-OLN-Cbz-4-(hydroxymethyLN- Cbz-4-piperidinemethanolN-CARBOBENZOXY-4-PIPECOLINOL

1-n-cbz-4-hydroxymethyl-piperidine1-cbz-4-hydroxy methyl piperidinebenzyl 4-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate4-Hydroxymethyl-Piperidine-1-Carboxylic Acid Benzyl Ester4-hydroxymethylpiperidine-1-carboxylic acid benzyl ester1-cbz-4-hydroxymethyl-piperidinephenylmethyl 4-(hydroxymethyl)piperidinecarboxylate1-n-cbz-4-hydroxymethylpiperidine

데이터베이스 식별자

CAS: 122860-33-7
PubChem CID: 736490
DTXSID: DTXSID90353037
EC Number: 675-939-8

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 256

물리화학적 성질

끓는 점: 396.4 · 396.4±25.0 °C(Predicted)
밀도: 1.162 · 1.162±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.94 · 14.94±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39

화학 및 산업

응용 분야 · 1건

용도1-N-Cbz-hydroxymethyl-piperidine is an intermediate used in the synthesis of benzoyloxyethylpiperidinylmethylamine as fluorescent antagonists for human 5-HT4 receptors. It is also used to prepare diaminobutane derivatives as potent Ca2+-Permeable AMPA receptor antagonists.