3-(N-TERT-부톡시카르보닐-N-메틸아미노)피롤리딘

(S)-Methyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester

HCID 7171888

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 169750-01-0
표준 SMILES: CN(C(=O)OC(C)(C)C)[C@H]1CCNC1
InChIKey: XYKYUXYNQDXZTD-QMMMGPOBSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247788

이름 및 식별자

우선 이름: (S)-Methyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate
현지명: 3-(N-TERT-부톡시카르보닐-N-메틸아미노)피롤리딘
영어명: 3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

(S)-METHYL-PYRROLIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTERRefChem:408160840-447-6169750-01-0(S)-TERT-BUTYL METHYL(PYRROLIDIN-3-YL)CARBAMATE(S)-3-(N-Boc-N-methylamino)pyrrolidinetert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamateMFCD08703388Carbamic acid, methyl(3S)-3-pyrrolidinyl-, 1,1-dimethylethyl esterMethyl-(S)-pyrrolidin-3-yl-carbamic acid tert-butyl ester(S)-3-(N-Boc-Methylamino)pyrrolidine(S)-3-[N-(Tert-Butoxycarbonyl)-N-Methylamino]Pyrrolidine

이름 더 보기

3-(N-TERT-부톡시카르보닐-N-메틸아미노)피롤리딘tert-butyl N-Methyl-N-(pyrrolidin-3-yl)carbaMate(S)-3-Boc-methylamino-pyrrolidine3-(N-BOC-N-METHYLAMINO)PYRROLIDINE(S)-3-(N-BOCMETHYLAMINO)PYRROLIDINE3-(N-METHYL-N-BOC-AMINO)PYRROLIDINE-tert-Butyl methyl(pyrrolidin-3-yl)(S)-tert-butyl Methyl(pyrrolidin-2-yl)carbaMatetert-Butyl methyl[(3S)-pyrrolidin-3-yl]carbamate

TERT-BUTYL (S)-METHYL(PYRROLIDIN-3-YL)CARBAMATESCHEMBL181909DTXSID10428251XYKYUXYNQDXZTD-QMMMGPOBSA-NAKOS005259262CS-W003552AS-83491SY005546

데이터베이스 식별자

CAS: 169750-01-0
PubChem CID: 7171888
DTXSID: DTXSID10428251
EC Number: 840-447-6

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: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 9.85 · 9.85±0.10(Predicted)
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-/m0/s1
InChIKey: XYKYUXYNQDXZTD-QMMMGPOBSA-N
SMILES: C(OC(C)(C)C)(=O)N(C)[C@H]1CCNC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.