(R)-4-Boc-2-메틸피페라진

(R)-1-Boc-3-methylpiperazine

HCID 2756811CAS 163765-44-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1
InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247789

이름 및 식별자

우선 이름: (R)-1-Boc-3-methylpiperazine
IUPAC: tert-butyl (3R)-3-methylpiperazine-1-carboxylate
현지명: (R)-4-Boc-2-메틸피페라진
영어명: (R)-1-Boc-3-methylpiperazine
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

(R)-1-Boc-3-methylpiperazineRefChem:407122627-658-7163765-44-4(R)-4-N-Boc-2-methylpiperazinetert-butyl (3R)-3-methylpiperazine-1-carboxylate(R)-4-Boc-2-methylpiperazine(r)-1-boc-3-methyl-piperazine(r)-4-n-boc-2-methyl-piperazine(r)-tert-butyl 3-methylpiperazine-1-carboxylateMFCD02683205TERT-BUTYL (R)-3-METHYLPIPERAZINE-1-CARBOXYLATE

이름 더 보기

(R)-4-Boc-2-메틸피페라진CAS:163765-44-4(R)-4-Boc-2-Methylpi(R)-N-BOC-2-METHYLPIPERAZINE(R)-N4-BOC-2-METHYLPIPERAZINE

1-PIPERAZINECARBOXYLIC ACID, 3-METHYL-, 1,1-DIMETHYLETHYL ESTER, (3R)-(r)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester1,1-dimethylethyl (3R)-3-methyl-1-piperazinecarboxylate(3r)-1-boc-3-methylpiperazine(R)-4-Boc-2-methyl piperazine2BDT5MCJ7CSCHEMBL105348orb2940201

데이터베이스 식별자

CAS: 163765-44-4
PubChem CID: 2756811
DTXSID: DTXSID70373556
UNII: 2BDT5MCJ7C
EC Number: 627-658-7
Nikkaji: J2.822.173H

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: 40 · 40-45 °C
끓는 점: 268.7 · 268.7±15.0 °C(Predicted)
밀도: 0.997 · 0.997±0.06 g/cm3(Predicted)
인화점: 223 °F · 223 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.52 · 8.52±0.40(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN[C@H](C)C1

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): 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, P305+P354+P338, P317, 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 50 reports by companies from 10 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 Dam. 1 (86%)；Eye Irrit. 2 (14%)；STOT SE 3 (98%)

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 37/38-41-36/37/38
hazard_code: Xi
safety_code: 26-39-37/39
F 고인화성물질: 10-34
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도(R)-4-Boc-2-methylpiperazine is a reagent used in organic synthesis. Used in the synthesis of orally bioavailable inhibitors of 11-β-hydroxysteroid. (R)-4-Boc-2-methylpiperazine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.