기본 정보
- CAS
125541-22-2- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)CC1- InChIKey
HTIWISWAPVQGMI-UHFFFAOYSA-N- 분자식
- C16H24N2O2
- 평균 분자량
- 276.37 g/mol
- 단동위원소 질량
- 276.18377801
이름 및 식별자
- 우선 이름
- 1-Boc-4-AP
- IUPAC
- tert-butyl 4-anilinopiperidine-1-carboxylate
- 현지명
- 1-N-Boc-4-(페닐아미노)피페리딘
- 영어명
- 1-N-Boc-4-(Phenylamino)piperidine
- 분자식
- C16H24N2O2
- 분자량
- 276.37
이름 및 동의어
tert-butyl 4-(phenylamino)piperidine-1-carboxylate1-BOC-4-APDTXSID90363439RefChem:430095DTXCID903144861-boc-4-AP (tert-butyl 4-(phenylamino)piperidine-1-carboxylate) and its salts864-150-6125541-22-21-Boc-4-(Phenylamino)piperidine1-N-BOC-4-(PHENYLAMINO)PIPERIDINEtert-butyl 4-anilinopiperidine-1-carboxylateMFCD02102489
이름 더 보기
1-N-Boc-4-(페닐아미노)피페리딘1-N-Boc-4-(Phenylamino)Aniline piperidine(Phenylamino)piperidine4-(Phenylamino)piperidine, N1-BOC protected2-Methyl-2-propanyl 4-anilino-1-piperidinecarboxylate4-(phenylamino)-1-N-Boc-4-(Phenylami
N-tert-Butoxycarbonyl-4-anilinopiperidine1-N-BOC-4-PHENYLAMINOPIPERIDINEtert-butyl 4-(phenylamino)piperidinecarboxylate1-(tert-butoxycarbonyl)-4-phenylaminopiperidinetert-butyl 4-anilinotetrahydro-1(2H)-pyridinecarboxylate4-ANBocPBionet2_0003915PB6P54SRS
데이터베이스 식별자
- CAS
125541-22-2- PubChem CID
- 1491502
- DTXSID
DTXSID90363439- ChEMBL
CHEMBL1574621- UNII
- 5PB6P54SRS
- EC Number
- 864-150-6
- Nikkaji
- J305.992H
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 311
실험 및 물리화학적 성질
Solubility35.2 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 136 · 136-137
- 끓는 점
- 400.6 · 400.6±38.0 °C(Predicted)
- 밀도
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 15 mg/mL; · DMF: 15mg/mL; DMSO: 25mg/mL; Ethanol: 25mg/mL; Ethanol:PBS (pH 7.2) (1:1): 0.5mg/mL
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 5 · 5.00±0.20(Predicted)
- InChI
- InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
- InChIKey
- HTIWISWAPVQGMI-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(NC2=CC=CC=C2)CC1
화학적 성질
Pale Brown Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2933399990
- risk_code
- 22
- hazard_code
- Xi,Xn
- 위험 등급
- IRRITANT
- 위험 참고 사항
- Harmful/Irritant
화학 및 산업
용도 및 제조
DEA Listed Chemicals
1-boc-4-AP (tert-butyl 4-(phenylamino)piperidine-1-carboxylate) and its salts
A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
응용 분야
개요4-Anilino-1-Boc-piperidine is an analytical reference standard that is structurally similar to known opioids. 4-Anilino-1-Boc-piperidine is a precursor in the synthesis of 4-anilinopiperidine . This product is intended for research and forensic applications.
용도Intermediate in the preparation of Fentanyl derivatives.
상·하류 제품 정보
하류 제품
공급사1 곳
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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