기본 정보
- CAS
162167-97-7- 표준 SMILES
CC(C)(C)OC(=O)N1CCCC(CN)C1- InChIKey
WPWXYQIMXTUMJB-UHFFFAOYSA-N- 분자식
- C11H22N2O2
- 평균 분자량
- 214.3 g/mol
- 단동위원소 질량
- 214.16812794
이름 및 식별자
- 우선 이름
- 1-Boc-3-(aminomethyl)piperidine
- IUPAC
- tert-butyl 3-(aminomethyl)piperidine-1-carboxylate
- 현지명
- 3-아미노메틸-1-N-Boc-피페리딘
- 영어명
- 3-Aminomethyl-1-N-Boc-piperidine
- 분자식
- C11H22N2O2
- 분자량
- 214.31
이름 및 동의어
1-boc-3-(aminomethyl)piperidineRefChem:430072638-926-8162167-97-7tert-butyl 3-(aminomethyl)piperidine-1-carboxylate1-boc-3-aminomethylpiperidine3-aminomethyl-1-n-boc-piperidine3-(Aminomethyl)-1-N-Boc-piperidine1-Boc-3-aminomethyl-piperidine1-PIPERIDINECARBOXYLIC ACID, 3-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTERMFCD013177923-Aminomethyl-piperidine-1-carboxylic acid tert-butyl ester
이름 더 보기
3-아미노메틸-1-N-Boc-피페리딘3-(Aminomethyl)-1-tert-butoxycarbonylpiperidineTIMTEC-BB SBB011302n-boc-3-aminomethyl Piperidine3-(AMINOMETHYL)-N-BOC-PIPERIDINE1-Boc-3-aminomethyl-piperidine HCl3-Aminomethyl-1-Boc-piperidine,97%DL-3-AMINOMETHYL-1-N-BOC-PIPERIDINE
3-(Aminomethyl)-1-Boc-piperidine3-aminomethyl-1-Boc-piperidinetert-butyl 3-(aminomethyl)piperidinecarboxylate(R)-1-N-Boc-3-(aminomethyl)piperidinen-boc-3-aminomethylpiperidine(S)-1-N-Boc-3-(aminomethyl)piperidine1-n-boc-3-(aminomethyl)-piperidineSCHEMBL481736
데이터베이스 식별자
- CAS
162167-97-7- PubChem CID
- 2756483
- DTXSID
DTXSID00373387- ChEMBL
CHEMBL4571239- EC Number
- 638-926-8
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 55.6 Ų
- 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
- 0.995 g/mL · 0.995 g/mL at 25 °C
- 굴절률
- 20 · n20/D1.469
- 인화점
- 110 ℃ · >110℃
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.12 · 10.12±0.29(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- InChI
- 1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8,12H2,1-3H3
- InChIKey
- WPWXYQIMXTUMJB-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)N1CCCC(CN)C1
화학적 성질
Pale yellow oil
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (85.1%): 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 47 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 (85.1%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3082 9 / PGIII
- HS 번호
- 29333990
- risk_code
- 22-36-50/53
- hazard_code
- Xi,N,Xn
- safety_code
- 26-60-61
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도3-Aminomethyl-1-Boc-piperidine is used as pharmaceutical intermediate.
상·하류 제품 정보
상류 원료
공급사100 곳
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