기본 정보
- CAS
189321-63-9- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(C)(C(=O)O)CC1- InChIKey
OKBNEDPOUYRYNP-UHFFFAOYSA-N- 분자식
- C12H21NO4
- 평균 분자량
- 243.3 g/mol
- 단동위원소 질량
- 243.14705815
이름 및 식별자
- 우선 이름
- 1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
- IUPAC
- 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
- 영어명
- 1-Boc-4-methylpiperidine-4-carboxylic acid
- 분자식
- C12H21NO4
- 분자량
- 243.3
이름 및 동의어
1-[(tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid1-((tert-butoxy)carbonyl)-4-methylpiperidine-4-carboxylic acidRefChem:419087675-962-3189321-63-91-Boc-4-methylpiperidine-4-carboxylic acid1-(Tert-Butoxycarbonyl)-4-Methylpiperidine-4-Carboxylic Acid1-Boc-4-methyl-4-piperidinecarboxylic Acid1-boc-4-methyl-isonipecotic acid1-Boc-4-Methyl-Piperidine-4-Carboxylic Acid1-Tert-butoxycarbonyl-4-methyl-piperidine-4-carboxylic acidMFCD02179132
이름 더 보기
1-Boc-4-MethyLCHEMBRDG-BB 4002933-4-piperidinecarboxyLN-BOC-4-METHYL ISONIPECOTIC ACID4-METHYL-4-CARBOXY-1-N-BOC-PIPERIDINE1-BOC-4-Methyl-piperidin-4-carboxylic acid
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid1,4-PIPERIDINEDICARBOXYLIC ACID, 4-METHYL-, 1-(1,1-DIMETHYLETHYL) ESTER4-methyl-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester1-(tert-Butoxycarbony1-Boc-4-methylpiperidine-4-carboxylicacidn-boc-4-methyl-4-piperidinecarboxylic acidSCHEMBL225098DTXSID70632519
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 311
물리화학적 성질
- 끓는 점
- 354.3 · 354.3±35.0 °C(Predicted)
- 밀도
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.69 · 4.69±0.20(Predicted)
- InChI
- InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15/h5-8H2,1-4H3,(H,14,15)
- InChIKey
- OKBNEDPOUYRYNP-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C)(C(O)=O)CC1
화학적 성질
White to Light yellow powder to crystal
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- ridadr
- UN2811
- HS 번호
- 2933399990
- 위험 등급
- IRRITANT
화학 및 산업
상·하류 제품 정보
상류 원료
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
成都市久鼎化学技术有限公司
관련 반응
55건
화합물 노트
불러오는 중…