기본 정보
- CAS
266369-42-0- 표준 SMILES
C[C@H](NC(=O)OC(C)(C)C)c1cccc(O)c1- InChIKey
WOFCTRSNCBCJCV-VIFPVBQESA-N- 분자식
- C13H19NO3
- 평균 분자량
- 237.29 g/mol
- 단동위원소 질량
- 237.13649347
이름 및 식별자
- 우선 이름
- Tert-butyl [(1S)-1-(3-hydroxyphenyl)ethyl]carbamate
- IUPAC
- tert-butyl N-[(1S)-1-(3-hydroxyphenyl)ethyl]carbamate
- 현지명
- TERT-BUTYL[(1S)-1-(3-HYDROXYPHENYL)ETHYL]카르바메이트
- 영어명
- tert-Butyl [(1S)-1-(3-hydroxyphenyl)ethyl]carbamate
- 분자식
- C13H19NO3
- 분자량
- 237.29
이름 및 동의어
266369-42-0TERT-BUTYL [(1S)-1-(3-HYDROXYPHENYL)ETHYL]CARBAMATETERT-BUTYL (S)-(1-(3-HYDROXYPHENYL)ETHYL)CARBAMATEtert-butyl N-[(1S)-1-(3-hydroxyphenyl)ethyl]carbamateSCHEMBL6487442YQF4257WOFCTRSNCBCJCV-VIFPVBQESA-NDTXSID401186047MFCD09038010Carbamic acid,[(1S)-1-(3-hydroxyphenyl)ethyl]-, 1,1-dimethylethyl ester (9CI)DB-266786G75526
이름 더 보기
TERT-BUTYL[(1S)-1-(3-HYDROXYPHENYL)ETHYL]카르바메이트Carbamic acid, N-[(1S)-1-(3-hydroxyphenyl)ethyl]-, 1,1-dimethylethyl ester
EN300-7075815(S)-tert-butyl 1-(3-hydroxyphenyl)ethylcarbamateF996370tert-butyl(1S)-1-(3-hydroxyphenyl)ethylcarbamate(S)-tert-Butyl-(1-(3-hydroxyphenyl)ethyl)carbamate(S)-tert-Butyl (1-(3-hydroxy-phenyl)ethyl)-carbamate1,1-Dimethylethyl N-[(1S)-1-(3-hydroxyphenyl)ethyl]carbamate(S)-[1-(3-hydroxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
데이터베이스 식별자
- CAS
266369-42-0- PubChem CID
- 56971802
- DTXSID
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 260
물리화학적 성질
- 끓는 점
- 387.3 · 387.3±25.0 °C(Predicted)
- 밀도
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 산도 계수 (pKa)
- 9.84 · 9.84±0.10(Predicted)
- InChI
- InChI=1S/C13H19NO3/c1-9(10-6-5-7-11(15)8-10)14-12(16)17-13(2,3)4/h5-9,15H,1-4H3,(H,14,16)/t9-/m0/s1
- InChIKey
- WOFCTRSNCBCJCV-VIFPVBQESA-N
- SMILES
- C(OC(C)(C)C)(=O)N[C@H](C1=CC=CC(O)=C1)C
화학 및 산업
공급사5 곳
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