CAS 187834-88-4 tert-Butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate (HCID 22713165)

기본 정보

CAS: 187834-88-4
표준 SMILES: CC(C)(C)OC(=O)N1CCC(C(=O)NN)CC1
InChIKey: JLIKTOWFNQDEME-UHFFFAOYSA-N
분자식: C11H21N3O3
평균 분자량: 243.3 g/mol
단동위원소 질량: 243.15829153

이름 및 식별자

우선 이름: tert-Butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate
현지명: 1-BOC-이소니페콧산수화물
영어명: 1-Boc-isonipecotic acid hydrazide
분자식: C11H21N3O3
분자량: 243.3

이름 및 동의어

187834-88-4tert-butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylateDTXSID70627703RefChem:383544DTXCID00578456687-907-01-Boc-Isonipecotic acid hydrazide1-Boc-IsonipecoticAcidHydrazide1-(tert-Butoxycarbonyl)piperidine-4-carbohydrazideMFCD06795927tert-butyl 4-(hydrazinocarbonyl)piperidine-1-carboxylate1,4-PIPERIDINEDICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) ESTER, 4-HYDRAZIDE

이름 더 보기

1-BOC-이소니페콧산수화물KA-0848-4-(hydrazinocarbonyL1-boc-isonipecotis acid hydrazide)tetrahydro-1(2H)-pyridinecarboxyLN-Boc-piperidine-4-carboxylhydrazide1-Boc-4-(hydrazinocarbonyl)piperidine

tert-butyl 4-???piperidinecarboxylate1-Boc-piperidine-4-carboxylhydrazideTERT-BUTYL 4-(HYDRAZINOCARBONYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATESCHEMBL315026JLIKTOWFNQDEME-UHFFFAOYSA-N1-Boc-piperidine-4-carbohydrazideALBB-018222SBB099731

데이터베이스 식별자

CAS: 187834-88-4
PubChem CID: 22713165
DTXSID: DTXSID70627703
EC Number: 687-907-0
Nikkaji: J1.974.111G

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 84.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 291

물리화학적 성질

녹는점: 104 · 104-106°C
끓는 점: 409.2 · 409.2±34.0 °C(Predicted)
밀도: 1.147 · 1.147±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 결정질 고체
산도 계수 (pKa): 13.01 · 13.01±0.20(Predicted)
색상: 하얀색
InChI: InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-8(5-7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKey: JLIKTOWFNQDEME-UHFFFAOYSA-N
SMILES: C1C(C(NN)=O)CCN(C(=O)OC(C)(C)C)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.