CAS 169448-87-7 (R)-2-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester (HCID 24820219)

기본 정보

CAS: 169448-87-7
표준 SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CO
InChIKey: BCPPNDHZUPIXJM-MRVPVSSYSA-N
분자식: C10H20N2O3
평균 분자량: 216.28 g/mol
단동위원소 질량: 216.1473925

이름 및 식별자

우선 이름: (R)-2-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
IUPAC: tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate
현지명: (R)-1-N-Boc-2-(히드록시메틸)피페라진
영어명: (R)-1-N-Boc-2-(hydroxymethyl)piperazine
분자식: C10H20N2O3
분자량: 216.28

이름 및 동의어

(R)-2-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERRefChem:407225800-588-6169448-87-7(R)-1-Boc-2-Hydroxymethyl-piperazine(R)-1-Boc-2-Hydroxymethylpiperazine(R)-1-Boc-2-(Hydroxymethyl)piperazine(R)-tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylatetert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylateMFCD07772092SCHEMBL1994122DTXSID60647450

이름 더 보기

(R)-1-N-Boc-2-(히드록시메틸)피페라진Nicotinamide Impurity 202(R)-1-Boc-2-(hyroxyMethyl)piperazine(R)-1-N-BOC-2-HYDROXYMETHYLPIPERAZINE HCl(S)-1-Boc-2-Hydroxymethyl-piperazine ,98%(R)-1-Boc-2-Hydroxymethyl-piperazine ,98%tert-Butyl (2R)-2-(hydroxymethyl)piperazin-1-carboxylate

tert-butyl (R)-2-(hydroxymethyl)piperazine-1-carboxylate(R)-1-N-BOC-2-HYDBCPPNDHZUPIXJM-MRVPVSSYSA-NCS-D0658(R)-N-Boc-2-hydroxymethyl-piperazineAKOS005258444AKOS015911913AC-1792

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 225

물리화학적 성질

끓는 점: 324 · 324.0±17.0 °C(Predicted)
밀도: 1.085 · 1.085±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 14.97 · 14.97±0.10(Predicted)
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m1/s1
InChIKey: BCPPNDHZUPIXJM-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCNC[C@@H]1CO

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

안전 데이터

HS 번호: 2933599590

화학 및 산업

응용 분야

용도(R)-tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate is used in preparation of novel substituted quinoline-8-carbonitrile derivatives with androgen receptor degradation activity and uses thereof.