4-아미노-1-BOC-피페리딘-4-카르복스아미드

tert-Butyl 4-amino-4-carbamoylpiperidine-1-carboxylate

HCID 10562199

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 288154-18-7
표준 SMILES: CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1
InChIKey: REYFNZOBKWUTGR-UHFFFAOYSA-N
분자식: C11H21N3O3
평균 분자량: 243.3 g/mol
단동위원소 질량: 243.15829153

이름 및 식별자

우선 이름: tert-Butyl 4-amino-4-carbamoylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate
현지명: 4-아미노-1-BOC-피페리딘-4-카르복스아미드
영어명: 4-Amino-1-Boc-piperidine-4-carboxamide
분자식: C11H21N3O3
분자량: 243.3

이름 및 동의어

288154-18-7tert-Butyl 4-amino-4-carbamoylpiperidine-1-carboxylateDTXSID40441796RefChem:893951DTXCID80392617863-148-24-AMINO-1-BOC-PIPERIDINE-4-CARBOXAMIDEMFCD041144771-Piperidinecarboxylic acid, 4-amino-4-(aminocarbonyl)-, 1,1-dimethylethyl estertert-butyl 4-amino-4-(aminocarbonyl)piperidine-1-carboxylate;1-Boc-4-aminopiperidine-4-carboxamideSCHEMBL849290tert-Butyl4-amino-4-carbamoylpiperidine-1-carboxylate

이름 더 보기

4-아미노-1-BOC-피페리딘-4-카르복스아미드1-Boc-4-aMinopiperidine-4-carboxaMide1-Boc-4-amino-4-(aminocarbonyl)piperidine4-chloro-2,3-dihydro-1H-indene-5-carboxylicacid4-amino-4-carbamoyl-1-piperidinecarboxylic acid tert-butyl estertert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate - [B86394]

Tert-butyl 4-amino-4-carbamoyl-piperidine-1-carboxylateREYFNZOBKWUTGR-UHFFFAOYSA-NCL8006AKOS015854675AB18433FA52016SS-4336SY066023

데이터베이스 식별자

CAS: 288154-18-7
PubChem CID: 10562199
DTXSID: DTXSID40441796
EC Number: 863-148-2

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 98.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 314

물리화학적 성질

끓는 점: 410.8 · 410.8±45.0 °C(Predicted)
밀도: 1.163 · 1.163±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 15.8 · 15.80±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.