기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(CN)CC1- InChIKey
KLKBCNDBOVRQIJ-UHFFFAOYSA-N- 분자식
- C11H22N2O2
- 평균 분자량
- 214.3 g/mol
- 단동위원소 질량
- 214.16812794
이름 및 식별자
- 우선 이름
- 1-Boc-4-(aminomethyl)piperidine
- IUPAC
- tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
- 현지명
- 1-Boc-4-(아미노메틸)피페리딘
- 영어명
- 1-Boc-4-(aminomethyl)piperidine
- 분자식
- C11H22N2O2
- 분자량
- 214.31
이름 및 동의어
1-Boc-4-(aminomethyl)piperidinetert-butyl 4-(aminomethyl)piperidine-1-carboxylateDTXSID10353110RefChem:430093DTXCID20304173628-804-2672-194-0144222-22-01-Boc-4-Aminomethylpiperidine1-Boc-4-aminomethyl-piperidineMFCD010762074-(Aminomethyl)-1-N-Boc-piperidine
이름 더 보기
1-Boc-4-(아미노메틸)피페리딘4-(aminomethBOC-PIP(4-AM)CAS:144222-22-0BUTTPARK 90\06-09)piperidine-1-carboxyL1-Boc-4-aminomethylpiperi...1-Boc-4-aMinoMethylpiperdine1-BOC-4-PIPERIDYLMETHYLAMINE
N-Boc-4-(aminomethyl)piperidine1-n-boc-4-(aminomethyl)piperidineboc-4-(aminomethyl)-piperidine4-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-(aminomethyl)-, 1,1-dimethylethyl ester4-Aminomethyl-1-Boc-piperidine1-tert-Butoxycarbonyl-4-aminomethylpiperidine4-(aminomethyl)-1-BOC-piperidine
데이터베이스 식별자
- CAS
144222-22-0- PubChem CID
- 736817
- DTXSID
DTXSID10353110- UNII
- BEP6KX6YFK
- EC Number
- 672-194-0
- Nikkaji
- J495.255C
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
- 215
물리화학적 성질
- 끓는 점
- 237 · 237-238 °C(lit.)
- 밀도
- 1.013 g/mL · 1.013 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.473(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름과 메탄올에 용해됩니다.
- 물리적 상태
- 액체 또는 저융점 고체
- 산도 계수 (pKa)
- 10.13 · 10.13±0.29(Predicted)
- 색상
- 무색~황색
- InChI
- InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8,12H2,1-3H3
- InChIKey
- KLKBCNDBOVRQIJ-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(CN)CC1
화학적 성질
White Low Melting Solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (98%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3082 9 / PGIII
- HS 번호
- 29339900
- risk_code
- 36/37/38-34-50
- hazard_code
- Xi,C,N
- safety_code
- 26-36-45-36/37/39-24/25-23-61
- 위험 등급
- IRRITANT
- F 고인화성물질
- 10-34
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도1-Boc-4-(aminomethyl)piperidine is a protected 4-substituted piperidinecarboxylate used in the preparation of orally active platelet-activating factor antagonists as well as other biologically active compounds.
상·하류 제품 정보
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