기본 정보
- CAS
103336-06-7- 표준 SMILES
CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)O- InChIKey
YQXRKJHVAUKXRN-NSHDSACASA-N- 분자식
- C11H19NO4
- 평균 분자량
- 229.27 g/mol
- 단동위원소 질량
- 229.13140809
개요
See other relationships...
이름 및 식별자
- 우선 이름
- (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- 영어명
- N-Boc-alpha-methyl-L-proline
- 분자식
- C11H19NO4
- 분자량
- 229.27
이름 및 동의어
N-BOC-ALPHA-METHYL-L-PROLINE(2S)-1-(TERT-BUTOXYCARBONYL)-2-METHYLPYRROLIDINE-2-CARBOXYLIC ACIDRefChem:397814109-012-1103336-06-7(S)-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid1-Boc-2-methyl-L-prolineMFCD08706361(2S)-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid1-(TERT-BUTOXYCARBONYL)-2-METHYL-L-PROLINEN-BOC-2-METHYL-L-PROLINE(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
이름 더 보기
Boc-α-Me-Pro-OHBoc-a-Me-Pro-OHProline Impurity 18Boc-alpha-Me-L-Pro-OH(S)-Boc-2-methylprolineN-BOC-A-METHYL-L-PROLINE
1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester,(2S)-(S)-2-Methylpyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester(2S)-1-tert-butoxycarbonyl-2-methyl-pyrrolidine-2-carboxylic acid(S)-2-methyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl esterBoc-alpha-Me-Pro-OH1-(tert-butoxycarbonyl)-2-methylprolineBoc-|A-Me-Pro-OHn-boc-2-(s)-methyl-(
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 308
물리화학적 성질
- 끓는 점
- 337.8 · 337.8±35.0 °C(Predicted)
- 밀도
- 1.16 · 1.160
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 4.2 · 4.20±0.20(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChI
- InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)/t11-/m0/s1
- InChIKey
- YQXRKJHVAUKXRN-NSHDSACASA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC[C@@]1(C)C(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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2933998090
- risk_code
- 22
- hazard_code
- Xn
화학 및 산업
응용 분야
용도N-Boc-2-methyl-L-proline is used as pharmaceutical intermediate.
상·하류 제품 정보
상류 원료
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