(R)-1-N-Boc-2-메틸피페라진

tert-Butyl (2R)-2-methylpiperazine-1-carboxylate

HCID 10262201CAS 170033-47-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@@H]1CNCCN1C(=O)OC(C)(C)C
InChIKey: DATRVIMZZZVHMP-MRVPVSSYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247789

이름 및 식별자

우선 이름: tert-Butyl (2R)-2-methylpiperazine-1-carboxylate
IUPAC: tert-butyl (2R)-2-methylpiperazine-1-carboxylate
현지명: (R)-1-N-Boc-2-메틸피페라진
영어명: (R)-1-N-Boc-2-methylpiperazine
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

170033-47-3tert-butyl (2R)-2-methylpiperazine-1-carboxylateDTXSID90437487RefChem:382957DTXCID60388311640-907-4(R)-1-N-Boc-2-methylpiperazine(R)-1-Boc-2-Methylpiperazine(R)-tert-butyl 2-methylpiperazine-1-carboxylate(R)-1-BOC-2-METHYL-PIPERAZINE(r)-n-boc-2-methylpiperazine(R)-1-N-Boc-2-methyl piperazine

이름 더 보기

(R)-1-N-Boc-2-메틸피페라진(R)-2-METHYL-1-BOC-PIPERAZINE(N)-1-N-Boc-2-methyl-piperazine(R)-1-N-Boc-2-Methyl piperazine ,98%(2R)-2-Methylpiperazine, N1-BOC protectedTert-Butyl2(R)-methylpiperazine-1-carboxylate

MFCD018621201-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2R)-tert-butyl (R)-2-methylpiperazine-1-carboxylate(R)-1-boc-methylpiperazine(R)-Boc-2-methylpiperazineSCHEMBL103217(R)-1-N-Boc-2-methyl pipera(R)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 170033-47-3
PubChem CID: 10262201
DTXSID: DTXSID90437487
EC Number: 640-907-4
Nikkaji: J674.085E

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 34 · 34-36 °C
끓는 점: 268.7 · 268.7±15.0 °C(Predicted)
밀도: 0.997 · 0.997±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 고체
산도 계수 (pKa): 8.49 · 8.49±0.40(Predicted)
색상: White crrystalline
InChI: InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey: DATRVIMZZZVHMP-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCNC[C@H]1C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

ridadr: UN3077
HS 번호: 2933599590
hazard_code: Xi

화학 및 산업

응용 분야

용도(R)-1-Boc-2-methylpiperazine is a reagent in the synthesis of potent and bioavailable inhibitors of Na+/H+ enxchanger type 3 used in the treatment of sleep apneas.