1-벤질-4-BOC-피페라진

tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate

HCID 15087789CAS 120737-77-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIKey: ZPDZNQZBTLCTDV-UHFFFAOYSA-N
분자식: C17H26N2O2
평균 분자량: 290.4 g/mol
단동위원소 질량: 290.19942808

이름 및 식별자

우선 이름: tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate
IUPAC: tert-butyl 4-benzyl-2-methylpiperazine-1-carboxylate
현지명: 1-벤질-4-BOC-피페라진
영어명: 1-Benzyl-4-Boc-piperazine
분자식: C17H26N2O2
분자량: 290.4

이름 및 동의어

120737-77-1tert-butyl 4-benzyl-2-methylpiperazine-1-carboxylateDTXSID00568014RefChem:383588DTXCID705187884-BENZYL-2-METHYLPIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-Piperazinecarboxylicacid, 2-methyl-4-(phenylmethyl)-, 1,1-dimethylethyl esterTERT-BUTYL-4-BENZYL-2(R)-METHYL-PIPERAZINECARBOXYLATEMFCD03265484SCHEMBL3664002ZPDZNQZBTLCTDV-UHFFFAOYSA-NAB3317

이름 더 보기

1-벤질-4-BOC-피페라진BUTTPARK 146\06-234-BENZYL-1-BOC-PIPERAZINE1-Benzyl-4-Boc-piperazine4-Benzyl-1-Boc-2-methylpiperazine,97%4-BENZYL-1-T-BUTOXYCARBONYLPIPERAZINE4-Benzyl-1-Boc-2-Methylpiperazine, 97%TERT-BUTYL 4-BENZYL-1-PIPERAZINECARBOXYLATE4-BENZYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

AKOS005256165AB14249DA-09418CS-0324801AU-004/43508705F334060tert-butyl 4-benzyl-2-methyl-1-piperazinecarboxylatetert-butyl 4-benzyl-2-methyl-piperazine-1-carboxylate

데이터베이스 식별자

CAS: 120737-77-1
PubChem CID: 15087789
DTXSID: DTXSID00568014
EC Number: 692-579-7
Nikkaji: J2.686.132B

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 32.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 345

물리화학적 성질

녹는점: 71 · 71-73 °C(lit.)
물리적 상태: solid
InChI: 1S/C17H26N2O2/c1-14-12-18(13-15-8-6-5-7-9-15)10-11-19(14)16(20)21-17(2,3)4/h5-9,14H,10-13H2,1-4H3
InChIKey: ZPDZNQZBTLCTDV-UHFFFAOYSA-N
SMILES: N2(CC(N(CC2)C(=O)OC(C)(C)C)C)Cc1ccccc1

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 (100%): 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 4 reports by companies from 1 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.