(S)-1-N-Boc-2-메틸피페라진

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

HCID 10081508

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 169447-70-5
표준 SMILES: C[C@H]1CNCCN1C(=O)OC(C)(C)C
InChIKey: DATRVIMZZZVHMP-QMMMGPOBSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247789

이름 및 식별자

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

이름 및 동의어

169447-70-5Tert-butyl (2S)-2-methylpiperazine-1-carboxylateDTXSID804352901,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylateRefChem:891734DTXCID20386116629-890-4(S)-1-N-Boc-2-Methylpiperazine(S)-1-Boc-2-methylpiperazine(S)-1-BOC-2-METHYL-PIPERAZINE(S)-tert-butyl 2-methylpiperazine-1-carboxylateMFCD01862121

이름 더 보기

(S)-1-N-Boc-2-메틸피페라진(R)-TERT-BUTYL 2-METHYLPIPERAZINE-1-CARBOXYLATE(S)-1-Boc-2-methl-piperazine(S)-N-Boc-2-methylpiperazine(R)-2-METHYL-1-BOC-PIPERAZINE1-Boc-2-(S)-Methyl Piperazine(S)-N1-BOC-2-METHYLPIPERAZINE

S-1-N-Boc-2-methylpiperazine1-PIPERAZINECARBOXYLIC ACID, 2-METHYL-, 1,1-DIMETHYLETHYL ESTER, (2S)-EN300-159795(S)-1-(tert-Butoxycarbonyl)-2-methylpiperazine(S)-1-N-Boc-2-methyl piperazine(R)-1-N-Boc-2-methylpiperazineEVZ55R4KPMtert-butyl (S)-2-methylpiperazine-1-carboxylate

데이터베이스 식별자

CAS: 169447-70-5
PubChem CID: 10081508
DTXSID: DTXSID80435290
UNII: EVZ55R4KPM
EC Number: 629-890-4
Nikkaji: J674.086C

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: 43 to · 43.0 to 47.0 °C
끓는 점: 268.7 · 268.7±15.0 °C(Predicted)
밀도: 0.997 · 0.997±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 8.49 · 8.49±0.40(Predicted)
색상: 흰색에서 거의 흰색
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-/m0/s1
InChIKey: DATRVIMZZZVHMP-QMMMGPOBSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCNC[C@@H]1C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (86.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 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 (13.3%)；Eye Irrit. 2 (13.3%)；STOT SE 3 (11.1%)；Aquatic Chronic 2 (86.7%)

안전 데이터

ridadr: UN3077
HS 번호: 2933599590

화학 및 산업

응용 분야

용도(S)-1-N-Boc-2-methylpiperazine is used in the preparation of pyrazolo[3,4-b]pyridine dual pharmacophores as PDE4-muscarinic antagonists.

상·하류 제품 정보

상류 원료

하류 제품

FVQORRADVAYZAV-AWEZNQCLSA-N

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海弘顺生物科技有限公司15901914505 · [email protected]

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