2-(Boc-aminomethyl)phenylacetic acid
기본 정보
- CAS
40851-66-9- 표준 SMILES
CC(C)(C)OC(=O)NCc1ccccc1CC(=O)O- InChIKey
CGPQRFCFBISLKF-UHFFFAOYSA-N- 분자식
- C14H19NO4
- 평균 분자량
- 265.3 g/mol
- 단동위원소 질량
- 265.13140809
이름 및 식별자
- 우선 이름
- 2-(Boc-aminomethyl)phenylacetic acid
- IUPAC
- 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid
- 영어명
- 2-(Boc-aminomethyl)phenylacetic acid
- 분자식
- C14H19NO4
- 분자량
- 265.3
이름 및 동의어
2-(BOC-AMINOMETHYL)PHENYLACETIC ACIDRefChem:459888637-014-740851-66-92-(2-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acidBOC-2-AMINOMETHYL-PHENYLACETIC ACIDMFCD066564282-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic AcidDTXSID803731432-(tert-butoxycarbonylaminomethyl)phenylacetic acid2-(2-(N-BOC-AMINOMETHYL)PHENYL)ACETIC ACID2-[2-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]acetic acid
이름 더 보기
2-(Boc-aminomethyl)phenylaceticAciBOC-2-AMINOMETHYL-PHENYLACETIC ACID 98%2-[(Boc-aMino)Methyl]benzeneacetic acid2-(Boc-aminomethyl)phenylacetic acid USP/EP/BP2-(N-tert-Butoxycarbonylaminomethyl)phenylacetic acid[2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PHENYL]-ACETIC ACID
EN300-1123362-(Boc-aminomethyl)phenylaceticAcid(2-{[(tert-butoxycarbonyl)amino]methyl}phenyl)acetic acidBENZENEACETIC ACID, 2-[[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]METHYL]-SCHEMBL825511SCHEMBL29430481CGPQRFCFBISLKF-UHFFFAOYSA-N2-[2-({[(tert-butoxy)carbonyl]
데이터베이스 식별자
- CAS
40851-66-9- PubChem CID
- 2755928
- DTXSID
DTXSID80373143- EC Number
- 637-014-7
- Nikkaji
- J2.426.517J
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 322
물리화학적 성질
- 끓는 점
- 435.2 · 435.2±33.0 °C(Predicted)
- 밀도
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 산도 계수 (pKa)
- 4.26 · 4.26±0.10(Predicted)
- BRN
- 1080474 · 1080474
- 주요 응용
- 펩타이드 합성
- InChI
- 1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
- InChIKey
- CGPQRFCFBISLKF-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)NCc1ccccc1CC(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29225090
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도[2-(tert-Butoxycarbonylaminomethyl)phenyl]acetic Acid is used to study molecular modeling on oligomers built from 2-aminomethylphenylacetic acid.
상·하류 제품 정보
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