기본 정보
- CAS
121492-06-6- 표준 SMILES
CN(CCN)C(=O)OC(C)(C)C- InChIKey
QYJVBVKFXDHFPQ-UHFFFAOYSA-N- 분자식
- C8H18N2O2
- 평균 분자량
- 174.24 g/mol
- 단동위원소 질량
- 174.13682782
이름 및 식별자
- 우선 이름
- N-Boc-N-methylethylenediamine
- IUPAC
- tert-butyl N-(2-aminoethyl)-N-methylcarbamate
- 영어명
- N-Boc-N-methylethylenediamine
- 분자식
- C8H18N2O2
- 분자량
- 174.24
이름 및 동의어
N-Boc-N-methylethylenediamineRefChem:829347627-226-8121492-06-6N-Boc-(2-Aminoethyl)-N-methylamineN-(2-Aminoethyl)-N-methyl carbamic acid tert-butyl estern-boc-n-methyl-ethylenediaminetert-Butyl N-(2-aminoethyl)-N-methylcarbamatetert-butyl (2-aminoethyl)(methyl)carbamate2-(N-Boc-N-methylamino)ethylamineMFCD01317789boc-n-methylethylenediamine
이름 더 보기
BOC,ME-EDACAS:121492-06-6BUTTPARK 90\06-19N-(2-AMinoethyl)-N-Methylca1-BOC-1-METHYL-ETHYLENEDIAMINEN-Boc-N-methyl-1,2-diaminoethane
N-(2-Aminoethyl)-N-methyl-carbamic Acid 1,1-Dimethylethyl EsterTert-butyl N-(2-aminoethyl)-N-methyl-carbamateN1-BOC-N1-METHYL-1,2-ETHYLENEDIAMINE(2-amino-ethyl)-methyl-carbamic acid tert-butyl esterMS-1774tert-butyl (2-aminoethyl)methylcarbamatetert-butyl 2-aminoethyl(methyl)carbamateEN300-64726
데이터베이스 식별자
- CAS
121492-06-6- PubChem CID
- 2756424
- DTXSID
DTXSID20923823- EC Number
- 627-226-8
- Nikkaji
- J1.607.327J
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 55.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 152
물리화학적 성질
- 녹는점
- 248 · 248-251 °C (decomp)
- 끓는 점
- 79 °C/0.4mmHg · 79°C/0.4mmHg(lit.)
- 밀도
- 0.975 g/mL · 0.975 g/mL at 20 °C (lit.)
- 굴절률
- 20 · n20/D 1.447
- 인화점
- 100 °C · >100 °C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 9.44 · 9.44±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~담황색 투명
- BRN
- 3588326 · 3588326
- InChI
- InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3
- InChIKey
- QYJVBVKFXDHFPQ-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)N(CCN)C
화학적 성질
Liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (88.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1C (88.9%)
안전 데이터
- wgk
- 3
- ridadr
- 2734
- HS 번호
- 2924190090
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- Ⅲ
- 위험 등급
- 8
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도Mono-protected building block.
상·하류 제품 정보
상류 원료
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