3-N-Boc-아미노피페리딘

3-(Boc-amino)piperidine

HCID 4233041CAS 172603-05-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC1CCCNC1
InChIKey: WUOQXNWMYLFAHT-UHFFFAOYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247789

이름 및 식별자

우선 이름: 3-(Boc-amino)piperidine
IUPAC: tert-butyl N-piperidin-3-ylcarbamate
현지명: 3-N-Boc-아미노피페리딘
영어명: 3-N-Boc-aminopiperidine
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

3-(boc-amino)piperidineRefChem:494340676-009-4172603-05-33-Boc-aminopiperidine3-N-Boc-aminopiperidinetert-butyl piperidin-3-ylcarbamatetert-butyl N-(piperidin-3-yl)carbamateTert-butyl N-(3-piperidyl)carbamate3-N-Boc-amino piperidine3-(N-Boc-amino)piperidinetert-butyl N-piperidin-3-ylcarbamate

이름 더 보기

3-N-Boc-아미노피페리딘N-(3-piperidinyL3-N-Boc-aMinopiperidAlogliptin Impurity 523-(Boc-amino)piperidine,97%(+/-)-3-N-BOC-AMINO-PIPERIDINE3-AMINOPIPERIDINE, 3-BOC PROTECTED3-Aminopiperidine,3-BOCprotected97%

piperidin-3-yl-carbamic acid tert-butyl ester3-(tert-butoxycarbonylamino)piperidinetert-butyl n-(3-piperidinyl)carbamateMFCD038399413-(N-Boc-amino) piperidineCARBAMIC ACID, 3-PIPERIDINYL-, 1,1-DIMETHYLETHYL ESTER3-tert-butoxycarbonylaminopiperidineN-3-Piperidinylcarbamic Acid 1,1-Dimethylethyl Ester

데이터베이스 식별자

CAS: 172603-05-3
PubChem CID: 4233041
DTXSID: DTXSID50401088
UNII: B29HA4XG3X
EC Number: 676-009-4
Nikkaji: J2.494.121C

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 199

물리화학적 성질

녹는점: 102 · 102-108°C
끓는 점: 304.8 · 304.8±31.0 °C(Predicted)
밀도: 1.02 · 1.02±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO및메탄올에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 12.37 · 12.37±0.20(Predicted)
색상: 하얀색
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey: WUOQXNWMYLFAHT-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1CCCNC1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (79.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute 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 49 reports by companies from 9 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 (100%)；Eye Irrit. 2 (98%)；STOT SE 3 (98%)；Aquatic Acute 1 (79.6%)

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
HS 번호: 29333990
risk_code: 36/37/38-50/53
hazard_code: Xi,N
safety_code: 26-36/37/39-61-60
위험 등급: IRRITANT
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N-3-Piperidinylcarbamic Acid 1,1-Dimethylethyl Ester is used in the synthesis of highly selective spleen tyrosine kinase inhibitors. Also used in the synthesis of a potent NHE1 inhibitor displaying cardioprotective effects.