1-Cbz-4-메틸렌-피페리딘

Benzyl 4-methylidenepiperidine-1-carboxylate

HCID 15519136CAS 138163-12-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: FQLKVNIQHUASLU-UHFFFAOYSA-N
분자식: C14H17NO2
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.12592878

이름 및 식별자

우선 이름: Benzyl 4-methylidenepiperidine-1-carboxylate
IUPAC: benzyl 4-methylidenepiperidine-1-carboxylate
현지명: 1-Cbz-4-메틸렌-피페리딘
영어명: 1-Cbz-4-methylene-piperidine
분자식: C14H17NO2
분자량: 231.29

이름 및 동의어

138163-12-9BENZYL 4-METHYLIDENEPIPERIDINE-1-CARBOXYLATEDTXSID50573572RefChem:328513DTXCID70524344974-654-9benzyl 4-methylenepiperidine-1-carboxylate1-Cbz-4-methylene-piperidine1-Cbz-4-Methylenepiperidine1-PIPERIDINECARBOXYLIC ACID, 4-METHYLENE-, PHENYLMETHYL ESTERMFCD098346224-Methylene-piperidine-1-carboxylic acid benzyl ester

이름 더 보기

1-Cbz-4-메틸렌-피페리딘N-CBZ-4-MethylenepiperidineN-Cbz-4-methylidenepiperidine1-Cbz-4-Methylenepiperidine - [M14292]Benzyl 4-methylene-1-piperidinecarboxylatePhenylmethyl 4-methylene-1-piperidinecarboxylate

Benzyl4-methylenepiperidine-1-carboxylate1-BENZYLOXYCARBONYL-4-METHYLENEPIPERIDINESCHEMBL2454574FQLKVNIQHUASLU-UHFFFAOYSA-NAKOS015969325PB14744AS-39040SY097146

데이터베이스 식별자

CAS: 138163-12-9
PubChem CID: 15519136
DTXSID: DTXSID50573572
EC Number: 974-654-9
Nikkaji: J1.584.745J

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 272

물리화학적 성질

끓는 점: 146 °C · 146 °C(Press: 1 Torr)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -1.46 · -1.46±0.20(Predicted)
InChI: InChI=1S/C14H17NO2/c1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13/h2-6H,1,7-11H2
InChIKey: FQLKVNIQHUASLU-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCC(=C)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.