ert-부틸4-(브로모메틸렌)피페리딘-1-카르복실레이트

tert-Butyl 4-(bromomethylidene)piperidine-1-carboxylate

HCID 45489892

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1020329-80-9
표준 SMILES: CC(C)(C)OC(=O)N1CCC(=CBr)CC1
InChIKey: IYVCMYUDZHFNJM-UHFFFAOYSA-N
분자식: C11H18BrNO2
평균 분자량: 276.17 g/mol
단동위원소 질량: 275.05209092

이름 및 식별자

우선 이름: tert-Butyl 4-(bromomethylidene)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(bromomethylidene)piperidine-1-carboxylate
현지명: ert-부틸4-(브로모메틸렌)피페리딘-1-카르복실레이트
영어명: ert-butyl 4-(bromomethylene)piperidine-1-carboxylate
분자식: C11H18BrNO2
분자량: 276.17

이름 및 동의어

1020329-80-9tert-butyl 4-(bromomethylidene)piperidine-1-carboxylateDTXSID90670498RefChem:383539DTXCID30621247830-173-51-Boc-4-(Bromomethylene)piperidineMFCD01632525TERT-BUTYL 4-(BROMOMETHYLENE)PIPERIDINE-1-CARBOXYLATEert-butyl 4-(bromomethylene)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-(bromomethylene)-, 1,1-dimethylethyl esterSCHEMBL513246

이름 더 보기

ert-부틸4-(브로모메틸렌)피페리딘-1-카르복실레이트4-Bromomethylene-piper1-Boc-4-(Bromomethylene)1-N-Boc-4-(bromomethylene)piperidineTert-Butyl4-(bromomethylene)piperidine-1-carboxylateTert-butyl 4-(bromomethylene)piperidin-1-carboxylate4-Bromomethylene-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylicacid, 4-(bromomethylene)-, 1,1-dimethy...

1-N-Boc-4-(bromomethylene)piperIYVCMYUDZHFNJM-UHFFFAOYSA-NAKOS015897859SB15354BP-11979SY040586DB-012393C14008

데이터베이스 식별자

CAS: 1020329-80-9
PubChem CID: 45489892
DTXSID: DTXSID90670498
EC Number: 830-173-5

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 258

물리화학적 성질

끓는 점: 317.7 · 317.7±35.0 °C(Predicted)
밀도: 1.39 · 1.390
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.51 · -1.51±0.20(Predicted)
InChI: InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h8H,4-7H2,1-3H3
InChIKey: IYVCMYUDZHFNJM-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC/C(=C\Br)/CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.