메틸-피롤리딘-3-일-카르바믹산tert-부틸에스테르

tert-Butyl methyl((3R)-pyrrolidin-3-yl)carbamate

HCID 7019173CAS 392338-15-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C(=O)OC(C)(C)C)[C@@H]1CCNC1
InChIKey: XYKYUXYNQDXZTD-MRVPVSSYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247788

개요

See also: (3R)-3-(Methylamino)pyrrolidine, 3-BOC protected (annotation moved to).

이름 및 식별자

우선 이름: tert-Butyl methyl((3R)-pyrrolidin-3-yl)carbamate
IUPAC: tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate
현지명: 메틸-피롤리딘-3-일-카르바믹산tert-부틸에스테르
영어명: Methyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

DTXSID70427088tert-butyl methyl[(3R)-pyrrolidin-3-yl]carbamatetert-Butyl methyl((3R)-pyrrolidin-3-yl)carbamateRefChem:1099582DTXCID60377922392338-15-7(R)-tert-butyl methyl(pyrrolidin-3-yl)carbamatetert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate(R)-3-(N-BOC-N-METHYLAMINO)PYRROLIDINEMFCD09263387Methyl-(R)-pyrrolidin-3-yl-carbamic acid tert-butyl ester(R)-3-Boc-Methylaminopyrrolidine

이름 더 보기

메틸-피롤리딘-3-일-카르바믹산tert-부틸에스테르(R)-3-Boc-methylamino-pyrrolidine(R)-3-(N-Boc-MethylaMino)pyrrolidine(3R)-3-(Methylamino)pyrrolidine, 3-BOC protectedtert-Butyl (R)-N-methyl-N-(pyrrolidin-3-yl)carbamateMethyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester

(R)-tert-butylmethyl(pyrrolidin-3-yl)carbamate(R)-3-(N-BOC-N-METHYL)AMINOPYRROLIDINEtert-butyl (R)-methyl(pyrrolidin-3-yl)carbamate(R)-3-[N-(tert-butoxycarbonyl)-N-methylamino]pyrrolidineCarbamic acid, methyl-(3R)-3-pyrrolidinyl-, 1,1-dimethylethyl esterSCHEMBL1033810XYKYUXYNQDXZTD-MRVPVSSYSA-NMFCD0926338

데이터베이스 식별자

CAS: 392338-15-7
PubChem CID: 7019173
DTXSID: DTXSID70427088

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 211

물리화학적 성질

끓는 점: 268 ℃ · 268℃
밀도: 1.03 · 1.03
인화점: 116 ℃ · 116℃
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 9.85 · 9.85±0.10(Predicted)
물리적 상태: 액체
색상: 옅은 노랑
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKey: XYKYUXYNQDXZTD-MRVPVSSYSA-N
SMILES: C(OC(C)(C)C)(=O)N(C)[C@@H]1CCNC1