CAS 128173-50-2 tert-Butyl benzyloxy(4-cyanobutyl)carbamate (HCID 10685938)

기본 정보

CAS: 128173-50-2
표준 SMILES: CC(C)(C)OC(=O)N(CCCCC#N)OCc1ccccc1
InChIKey: PMFJIAMYWRXMHN-UHFFFAOYSA-N
분자식: C17H24N2O3
평균 분자량: 304.4 g/mol
단동위원소 질량: 304.17869263

이름 및 식별자

우선 이름: tert-Butyl benzyloxy(4-cyanobutyl)carbamate
IUPAC: tert-butyl N-(4-cyanobutyl)-N-phenylmethoxycarbamate
현지명: N-(4-시아노부틸)-N-(페닐메톡시)카르밤산tert-부틸에스테르
영어명: N-(4-Cyanobutyl)-N-(phenylmethoxy)carbamic acid tert-butyl ester
분자식: C17H24N2O3
분자량: 304.38

이름 및 동의어

128173-50-2tert-Butyl benzyloxy(4-cyanobutyl)carbamateDTXSID30443542RefChem:383744DTXCID30394363tert-butyl (benzyloxy)(4-cyanobutyl)carbamatetert-butyl N-(4-cyanobutyl)-N-phenylmethoxycarbamateN-(4-Cyanobutyl)-N-(phenylmethoxy)carbamic acid tert-butyl esterN-(4-Cyanobutyl)-N-(phenylmethoxy)-carbamic Acid 1,1-Dimethylethyl Ester(4-Cyanobutyl)(phenylmethoxy)-carbamic Acid 1,1-Dimethylethyl Ester; t-Butyl Benzyloxy(4-cyanobutyl)carbamateAC-6933tert-Butylbenzyloxy(4-cyanobutyl)carbamate

이름 더 보기

N-(4-시아노부틸)-N-(페닐메톡시)카르밤산tert-부틸에스테르Xanthoanthrafil Impurity 1N-(4-Cyanobutyl)-N-(phenylmethoxy)carbamic acid tert-butyl e...

SCHEMBL1751201PMFJIAMYWRXMHN-UHFFFAOYSA-NH36203F898429N-(tert-Butoxycarbonyl)-N-(4-cyanobutyl)-O-benzylhydroxylamineO-benzyl-N-(t-butoxycarbonyl)-N-(4-cyanobutyl)hydroxylamineO-Benzyl-N-(tert-butoxycarbonyl)-N-(4-cyanobutyl)-hydroxylamineCarbamic acid, N-(4-cyanobutyl)-N-(phenylmethoxy)-, 1,1-dimethylethyl ester

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 62.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 9
무거운 원자 수: 22
형식 전하: 0
복잡도: 375

물리화학적 성질

끓는 점: 451.5 · 451.5±38.0 °C(Predicted)
밀도: 1.081 · 1.081
저장 조건: -20 °C · -20°C Freezer
용해도: 에 용해됨DCM, 메탄올
물리적 상태: 기름
색상: 갈색을 띠는

화학 및 산업

응용 분야 · 1건

용도N-(4-Cyanobutyl)-N-(phenylmethoxy)-carbamic Acid 1,1-Dimethylethyl Ester is an intermediate in synthesizing Deferoxamine-d7 TFA Salt (D228982), a labelled Deferoxamine Mesylate (D228980), which is an iron chelating agent used in therapy for patients with sickle cell diseases and iron overload. Studies suggest that it can exert potential antioxidant neuroprotective effects in stroke patients.