기본 정보
- 표준 SMILES
CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
ITCQNWXLNZGEHP-UHFFFAOYSA-N- 분자식
- C13H24N2O4
- 평균 분자량
- 272.34 g/mol
- 단동위원소 질량
- 272.17360725
이름 및 식별자
- 우선 이름
- tert-Butyl 4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
- 현지명
- 1-Boc-4-[메톡시(메틸)카바모일]피페리딘
- 영어명
- 1-Boc-4-[methoxy(methyl)carbamoyl]piperidine
- 분자식
- C13H24N2O4
- 분자량
- 272.34
이름 및 동의어
139290-70-3tert-butyl 4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylatetert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylateM9N3LY5YV2DTXSID80453979RefChem:1099555DTXCID704047981-Boc-4-[methoxy(methyl)carbamoyl]piperidine1-Boc-4-(methoxy-methyl-carbamoyl)piperidine1-Boc-4-(Methoxy-methyl-carbamoyl)-piperidineMFCD07368262N'-Boc-N-methoxy-N-methylpiperidine-4-carboxamide
이름 더 보기
1-Boc-4-[메톡시(메틸)카바모일]피페리딘N-BOC-4-(METHOXY-METHYL-CARBAMOYL)PIPERIDINE1-Boc-4-(N-Methoxy-N-MethylcarbaMoyl)piperidine1-Boc-N-methoxy-N-methyl-4-piperidinecarboxamideN’-Boc-N-methoxy-N-methylpiperidine-4-carboxamide4-[Methoxy(methyl)carbamoyl]piperidine, N1-BOC protected4-[(MethoxyMethylaMino)carbonyl]-1-piperidinecarboxylic Acid4-[Methoxy(methyl)carbamoyl]piperidine, N1-BOC protected 98%ert-Butyl4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate
Tert-butyl 4-(N-methoxy-N-methylcarbamoyl)piperidine-1-carboxylatetert-Butyl 4-(N-Methoxy-N-methylcarbamoyl)-1-piperidinecarboxylate1-Boc-4-(methoxy-methyl carbamoyl)piperidine1-PIPERIDINECARBOXYLIC ACID, 4-[(METHOXYMETHYLAMINO)CARBONYL]-, 1,1-DIMETHYLETHYL ESTER1-(tert-Butoxycarbonyl)-4-(N-methoxy-N-methylcarbamoyl)piperidN-Methoxy-N-methyl 1-(1,1-Dimethylethyloxycarbonyl)-4-piperidine carboxamidetert-butyl 4-(methoxy(methyl)carbamoyl)-piperidine-1-carboxylatetert-Butyl 4-[methoxy(methyl)carbamoyl]-piperidine-1-carboxylate
데이터베이스 식별자
- CAS
139290-70-3- PubChem CID
- 11065582
- DTXSID
DTXSID80453979- UNII
- M9N3LY5YV2
- EC Number
- 821-259-3
- Nikkaji
- J607.851F
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 59.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 330
물리화학적 성질
- 녹는점
- 71 to · 71.0 to 75.0 °C
- 끓는 점
- 150 °C/0.9mmHg · 150°C/0.9mmHg(lit.)
- 밀도
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름, 디클로로메탄, 에틸아세테이트, 메탄올에 용해됨
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- -2.31 · -2.31±0.40(Predicted)
- 색상
- 옅은 노랑
- InChI
- InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
- InChIKey
- ITCQNWXLNZGEHP-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C(N(OC)C)=O)CC1
화학적 성질
Pale Yellow Oil
안전 및 규제
GHS 분류
GHS Classification
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, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933399990
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도An intermediate in the production of IKK inhibitors, ERK inhibitors, p38 MAP kinase inhibitors and serotonin receptor antagonists
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