4-Amino-1-Boc-piperidine

HCID 1268291

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 87120-72-7
표준 SMILES: CC(C)(C)OC(=O)N1CCC(N)CC1
InChIKey: LZRDHSFPLUWYAX-UHFFFAOYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247788

이름 및 식별자

우선 이름: 4-Amino-1-Boc-piperidine
IUPAC: tert-butyl 4-aminopiperidine-1-carboxylate
영어명: 4-Amino-1-Boc-piperidine
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

4-Amino-1-Boc-piperidineTert-butyl 4-aminopiperidine-1-carboxylateDTXSID40361501RefChem:517449DTXCID60312550617-965-4691-998-287120-72-71-boc-4-aminopiperidinen-boc-4-aminopiperidineMFCD01076201N-Boc-4-amino piperidine

이름 더 보기

4-Amino-1-piperidinecarboxylic Acid tert-Butyl Ester1-N-BOC-4-AMINOPIPERIDINE1-BUTYLOXYCARBONYL-4-AMINO-PIPERIDINE4-Amino-piperidine-1-carboxylic acid t-butyl esterEOS-61525

tert-Butyl 4-amino-1-piperidinecarboxylate1-PIPERIDINECARBOXYLIC ACID, 4-AMINO-, 1,1-DIMETHYLETHYL ESTER4-amino-1-n-boc-piperidine4-Aminopiperidine-1-carboxylic acid tert-butyl ester4-amino-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-aminopiperidinecarboxylate4-Amino-1-tert-butoxycarbonylpiperidine4-Amino-1-tert-butoxycarbonyl-piperidine

데이터베이스 식별자

CAS: 87120-72-7
PubChem CID: 1268291
DTXSID: DTXSID40361501
ChEMBL: CHEMBL3904068
UNII: 482ND8S38P
EC Number: 617-965-4、691-998-2
Nikkaji: J887.265A

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 203

물리화학적 성질

녹는점: 50 °C · 50°C
끓는 점: 80 · 80/0.037mm
밀도: 1.041 · 1.041±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 10.1 · 10.10±0.20(Predicted)
물리적 상태: 결정질 분말, 결정 및/또는 덩어리
색상: 흰색에서 연한 노란색, 베이지색까지
수용성: 물에 불용성.
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3
InChIKey: LZRDHSFPLUWYAX-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(N)CC1

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, 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.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (86%)

Acute Tox. 4 (100%)

안전 데이터

wgk: 2
tsca: N
ridadr: 3259
HS 번호: 29339900
risk_code: 22-37/38-41-36/37/38-20/21/22-20/21/2236/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37/39-22-222636/37/39
포장분류: Ⅲ
위험 등급: 8
F 고인화성물질: 10-34
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Amino-1-Boc-piperidine is a chemical reagent used in the preparation of pharmaceutical compounds. Used in the synthesis of bromodomain inhibitors as well as HepG2 cell cycle inhibitors used in anti-tumor therapy. Also employed in a microwave-assisted solid-phase synthesis of N-substituted piperidines via direct annulation of primary amines with resin-bound dimesylates.