4-아세틸-피페리딘-1-카르복실산TERT-부틸에스테르

4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester

HCID 10987983CAS 206989-61-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: HNVBBNZWMSTMAZ-UHFFFAOYSA-N
분자식: C12H21NO3
평균 분자량: 227.3 g/mol
단동위원소 질량: 227.15214353

이름 및 식별자

우선 이름: 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
IUPAC: tert-butyl 4-acetylpiperidine-1-carboxylate
현지명: 4-아세틸-피페리딘-1-카르복실산TERT-부틸에스테르
영어명: 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
분자식: C12H21NO3
분자량: 227.3

이름 및 동의어

4-Acetyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester1-PIPERIDINECARBOXYLIC ACID, 4-ACETYL-, 1,1-DIMETHYLETHYL ESTERRefChem:517337696-477-3206989-61-9Tert-butyl 4-acetylpiperidine-1-carboxylateN-Boc-4-acetylpiperidine1-Boc-4-acetylpiperidineMFCD084376551-N-BOC-4-ACETYLPIPERIDINEN-Boc-4-acetyl piperidineN-Boc-4-Acetypiperidine

이름 더 보기

4-아세틸-피페리딘-1-카르복실산TERT-부틸에스테르1-Boc-4-acetyLZanubrutinib Impurity 6Zanubrutinib impurity-221-BOC-4-ACETYL-PIPERIDINE-N-Boc-4-Acetylpiperidine1-BOC-ESTER4-ACETYL-PIPERIDINE

PB12523tert-butyl4-acetylpiperidine-1-carboxylate1,1-dimethylethyl 4-acetyl-1-piperidinecarboxylate4-acetylpiperidine-1-carboxylic acid tert-butyl esterN-Boc-4AM20090165tert-butyl 4-ethanoylpiperidine-1-carboxylateN-Boc-4-Acetyl-piperidine

데이터베이스 식별자

CAS: 206989-61-9
PubChem CID: 10987983
DTXSID: DTXSID30450938
EC Number: 696-477-3
Nikkaji: J1.531.828G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 272

물리화학적 성질

끓는 점: 312.4 · 312.4±35.0 °C(Predicted)
밀도: 1.052 · 1.052±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -2.23 · -2.23±0.40(Predicted)
물리적 상태: solid
InChI: InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
InChIKey: HNVBBNZWMSTMAZ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C(C)=O)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (75%)

안전 데이터

ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933399990
risk_code: 25
hazard_code: T
safety_code: 45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects