2-(아미노메틸)-1-Boc-피페리딘

tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate

HCID 2756482CAS 370069-31-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCCCC1CN
InChIKey: PTVRCUVHYMGECC-UHFFFAOYSA-N
분자식: C11H22N2O2
평균 분자량: 214.3 g/mol
단동위원소 질량: 214.16812794

이름 및 식별자

우선 이름: tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 2-(aminomethyl)piperidine-1-carboxylate
현지명: 2-(아미노메틸)-1-Boc-피페리딘
영어명: 2-(Aminomethyl)-1-Boc-piperidine
분자식: C11H22N2O2
분자량: 214.3

이름 및 동의어

370069-31-1tert-butyl 2-(aminomethyl)piperidine-1-carboxylateDTXSID40373386RefChem:383168DTXCID80324418625-022-31-boc-2-(aminomethyl)piperidine1-Boc-2-aminomethyl-piperidine1-boc-2-aminomethylpiperidine2-(Aminomethyl)-1-N-Boc-piperidine2-(Aminomethyl)-1-Boc-piperidine2-Aminomethyl-piperidine-1-carboxylic acid tert-butyl ester

이름 더 보기

2-(아미노메틸)-1-Boc-피페리딘TIMTEC-BB SBB0113031-Boc-2-aMinoMethylpiperdineN-BOC-2-AMINOMETHYLPIPERIDINE1-N-BOC-2-(AMINOMETHYL)PIPERIDINE1-Boc-2-aminomethylpiperidine 95%2-Aminomethyl-1-Boc-piperidine,95%

MFCD013177911-PIPERIDINECARBOXYLIC ACID, 2-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTER2-Aminomethyl-1-Boc-piperidine1-boc-2-(aminomethyl)-piperidinetert-butyl 2-(aminomethyl)piperidinecarboxylateHMS1704B131-Piperidinecarboxylicacid, 2-(aminomethyl)-, 1,1-dimethylethyl esterracemic 2-(aminomethyl)-1-N-boc-piperidine

데이터베이스 식별자

CAS: 370069-31-1
PubChem CID: 2756482
DTXSID: DTXSID40373386
EC Number: 625-022-3
Nikkaji: J2.094.350E

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 223

물리화학적 성질

끓는 점: 299.4 · 299.4±13.0 °C(Predicted)
밀도: 1.0124 g/mL · 1.0124 g/mL at 25 °C
굴절률: 20 · n20/D 1.4745
인화점: 110 °C · 110 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: DMSO에 용해됩니다.
물리적 상태: liquid
산도 계수 (pKa): 10.32 · 10.32±0.29(Predicted)
InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-8,12H2,1-3H3
InChIKey: PTVRCUVHYMGECC-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCCC1CN

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 3
ridadr: UN 3082 9/PG 3
HS 번호: 29242990
risk_code: 22-36/37/38-50
hazard_code: Xn,N
safety_code: 26-61
위험 등급: 9
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Reactant for synthesis of:TRPV1 antagonistsCHK1 inhibitorsp38a MAP kinase inhibitorsCarbamoylphosphonatesMacrolactams via carbonylation/intramolecular amidationIntramolecular transamidation