(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
기본 정보
- CAS
168297-85-6- 표준 SMILES
CC1(C)OC(=O)N[C@H]1Cc1ccccc1- InChIKey
AEEGFEJKONZGOH-JTQLQIEISA-N- 분자식
- C12H15NO2
- 평균 분자량
- 205.25 g/mol
- 단동위원소 질량
- 205.11027872
이름 및 식별자
- 우선 이름
- (S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
- IUPAC
- (4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one
- 영어명
- (S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
- 분자식
- C12H15NO2
- 분자량
- 205.25
이름 및 동의어
(S)-4-Benzyl-5,5-dimethyloxazolidin-2-one(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinoneRefChem:407697630-655-3168297-85-6(4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-oneMFCD006740202-Oxazolidinone, 5,5-dimethyl-4-(phenylmethyl)-, (4S)-SCHEMBL531693DTXSID30448416AEEGFEJKONZGOH-JTQLQIEISA-NAKOS016842441
이름 더 보기
(S)-4-BENZYL-5,5-DIMETHYL-OXAZOLIDIN-2-ONE(4S)-4-benzyl-5,5-dimethyl-oxazolidin-2-one(S)-(+)-4-BENZYL-5,5-DIMETHYL-2-OXAZOLIDINONE(S)-4-Benzyl-5,5-dimethyl-2-oxazolidinone,99%e.e.(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone 98%(S)-(?)-4-Benzyl-5,5-dimethyl-2-oxazolidinone(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone USP/EP/BP2-Oxazolidinone,5,5-dimethyl-4-(phenylmethyl)-,(4S)-(9CI)
CS-W015373BS-50645SY277037E77992F849394(4S)-5,5-Dimethyl-4-(phenylmethyl)-2-oxaZolidinone(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone, 98%(4S)-5,5-dimethyl-4-(phenylmethyl)-1,3-oxazolidin-2-one
데이터베이스 식별자
- CAS
168297-85-6- PubChem CID
- 10921652
- DTXSID
DTXSID30448416- EC Number
- 630-655-3
- Nikkaji
- J954.868H
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 244
물리화학적 성질
- 녹는점
- 65 · 65-68 °C(lit.)
- 끓는 점
- 385 · 385.0±9.0 °C(Predicted)
- 밀도
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.86 · 12.86±0.60(Predicted)
- InChI
- 1S/C12H15NO2/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1
- InChIKey
- AEEGFEJKONZGOH-JTQLQIEISA-N
- SMILES
- CC1(C)OC(=O)N[C@H]1Cc2ccccc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
4건
화합물 노트
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