CAS 554450-77-0 1,3-Dimethyl 2-(4-((tert-butoxy)carbonyl)piperazin-1-yl)propanedioate (HCID 57848692)

기본 정보

CAS: 554450-77-0
표준 SMILES: COC(=O)C(C(=O)OC)N1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: CMUQXGMHZNUZMU-UHFFFAOYSA-N
분자식: C14H24N2O6
평균 분자량: 316.35 g/mol
단동위원소 질량: 316.16343649

이름 및 식별자

우선 이름: 1,3-Dimethyl 2-(4-((tert-butoxy)carbonyl)piperazin-1-yl)propanedioate
IUPAC: dimethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanedioate

이름 및 동의어

554450-77-01,3-dimethyl 2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}propanedioate1,3-Dimethyl 2-(4-((tert-butoxy)carbonyl)piperazin-1-yl)propanedioateRefChem:414520849-338-8tert-butyl 4-(di(methoxycarbonyl)methyl)piperazine-1-carboxylatedimethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanedioate1,3-dimethyl2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}propanedioateSCHEMBL1505020Dimethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)malonateCMUQXGMHZNUZMU-UHFFFAOYSA-NDA-42097

이름 더 보기

EN300-7494465dimethyl 2-(4-tert-butoxycarbonylpiperazin-1-yl)malonate

데이터베이스 식별자

CAS: 554450-77-0
PubChem CID: 57848692
EC Number: 849-338-8

물성

구조 계산 물성

XLogP: 1
극성 표면적: 85.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 22
형식 전하: 0
복잡도: 408

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)

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