기본 정보
- CAS
3060-50-2- 표준 SMILES
NC(C(=O)O)(c1ccccc1)c1ccccc1- InChIKey
YBONNYNNFBAKLI-UHFFFAOYSA-N- 분자식
- C14H13NO2
- 평균 분자량
- 227.26 g/mol
- 단동위원소 질량
- 227.09462866
이름 및 식별자
- 우선 이름
- 2,2-Diphenylglycine
- IUPAC
- 2-amino-2,2-diphenylacetic acid
- 영어명
- 2,2-Diphenylglycine
- 분자식
- C14H13NO2
- 분자량
- 227.26
이름 및 동의어
2,2-Diphenylglycine3060-50-2alpha,alpha-DiphenylglycineBenzeneacetic acid, alpha-amino-alpha-phenyl-alpha-Aminodiphenylacetic acidNSC-33392634Y52030LDTXSID20184674RefChem:81120DTXCID60107165221-299-62-amino-2,2-diphenylacetic acid
이름 더 보기
NSC 33392DIPHENYLGLYCINA,A-DIPHENYLGLYCINE2,2-diphenyl-glycinPhenytoin IMpurity CPhenytoin Impurity 6LABOTEST-BB LT00159592Phenytoin EP impurity CAMINODIPHENYLACETIC ACID
MFCD00008048GLYCINE, 2,2-DIPHENYL-.alpha.-Aminodiphenylacetic acid.alpha.,.alpha.-DiphenylglycineAmino(diphenyl)acetic acidBenzeneacetic acid, .alpha.-amino-.alpha.-phenyl-Phenytoin Sodium EP Impurity C2-amino-2,2-diphenyl-acetic acid
데이터베이스 식별자
- CAS
3060-50-2- PubChem CID
- 18289
- DTXSID
DTXSID20184674- ChEMBL
CHEMBL3544524- UNII
- 634Y52030L
- EC Number
- 221-299-6
- Nikkaji
- J75.718G
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 247
물리화학적 성질
- 녹는점
- 245 · 245-247 °C (dec.) (lit.)
- 끓는 점
- 368.97 °C · 368.97°C (rough estimate)
- 밀도
- 1.231 · 1.231±0.06 g/cm3 (20 ºC 760 Torr)
- 굴절률
- 1.578 · 1.5780 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- 산도 계수 (pKa)
- 1.38 · 1.38±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수용성
- 물에 거의 녹지 않습니다.
- 안정성
- 흡습성
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17)
- InChIKey
- YBONNYNNFBAKLI-UHFFFAOYSA-N
- SMILES
- C(N)(C(=O)O)(C1C=CC=CC=1)C1C=CC=CC=1
화학적 성질
white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
안전 데이터
- wgk
- 3
- rtecs
- MC0176000
- HS 번호
- 29224999
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요2, 2-Diphenylglycine is a highly similar analogue and the simplest aromatic peptide. It can be used as a synthesis reagent for amination reactions. It is a useful intermediate in pharmaceutical and in organic synthesis. Its derivatives have been also be shown to exhibit anticonvulsants activity and can be used for the treatment of pain.
용도2,2-Diphenylglycine is used as a synthesis reagent for amination reactions. It acts as an intermediate in pharmaceutical and in organic synthesis.
상·하류 제품 정보
하류 제품
공급사93 곳
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